[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-phenylmethoxyiminobutan-1-one

C176H137Cl5F6N10O21S9 — CID 172918689

IUPAC[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-phenylmethoxyiminobutan-1-one
SMILESCCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OCc3ccccc3)cc2c2cc(C(=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OS(=O)(=O)C(F)(F)F)cc2c2cc(C(=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OS(=O)(=O)c3ccccc3)cc2c2cc(C(=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OS(=O)C(F)(F)F)cc2c2cc(C(=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OS(=O)c3ccccc3)cc2c2cc(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C38H31ClN2O3S.C37H29ClN2O5S2.C37H29ClN2O4S2.C32H24ClF3N2O5S2.C32H24ClF3N2O4S2/c1-2-41-35-19-13-28(37(42)27-11-7-4-8-12-27)23-32(35)33-24-29(14-20-36(33)41)38(43)34(40-44-25-26-9-5-3-6-10-26)21-22-45-31-17-15-30(39)16-18-31;1-2-40-34-19-13-26(36(41)25-9-5-3-6-10-25)23-31(34)32-24-27(14-20-35(32)40)37(42)33(21-22-46-29-17-15-28(38)16-18-29)39-45-47(43,44)30-11-7-4-8-12-30;1-2-40-34-19-13-26(36(41)25-9-5-3-6-10-25)23-31(34)32-24-27(14-20-35(32)40)37(42)33(21-22-45-29-17-15-28(38)16-18-29)39-44-46(43)30-11-7-4-8-12-30;1-2-38-28-14-8-21(30(39)20-6-4-3-5-7-20)18-25(28)26-19-22(9-15-29(26)38)31(40)27(37-43-45(41,42)32(34,35)36)16-17-44-24-12-10-23(33)11-13-24;1-2-38-28-14-8-21(30(39)20-6-4-3-5-7-20)18-25(28)26-19-22(9-15-29(26)38)31(40)27(37-42-44(41)32(34,35)36)16-17-43-24-12-10-23(33)11-13-24/h3-20,23-24H,2,21-22,25H2,1H3;3-20,23-24H,2,21-22H2,1H3;3-20,23-24H,2,21-22H2,1H3;3-15,18-19H,2,16-17H2,1H3;3-15,18-19H,2,16-17H2,1H3/b40-34+;2*39-33+;2*37-27+
InChIKeyMEMUSFPWVGBMEM-OTBYSRAXSA-N
MW3307.94 g/mol
LogP44.53
Rot. Bonds58

About [(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-phenylmethoxyiminobutan-1-one

[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-phenylmethoxyiminobutan-1-one (PubChem CID 172918689) has the molecular formula C176H137Cl5F6N10O21S9 and a molecular weight of 3307.94 g/mol. Its IUPAC name is [(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-phenylmethoxyiminobutan-1-one.

Molecular Properties

Compound Name[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-phenylmethoxyiminobutan-1-one
PubChem CID172918689
Molecular FormulaC176H137Cl5F6N10O21S9
Molecular Weight3307.94 g/mol
Exact Mass3302.58
IUPAC Name[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-phenylmethoxyiminobutan-1-one
SMILESCCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OCc3ccccc3)cc2c2cc(C(=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OS(=O)(=O)C(F)(F)F)cc2c2cc(C(=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OS(=O)(=O)c3ccccc3)cc2c2cc(C(=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OS(=O)C(F)(F)F)cc2c2cc(C(=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OS(=O)c3ccccc3)cc2c2cc(C(=O)c3ccccc3)ccc21
InChIInChI=1S/C38H31ClN2O3S.C37H29ClN2O5S2.C37H29ClN2O4S2.C32H24ClF3N2O5S2.C32H24ClF3N2O4S2/c1-2-41-35-19-13-28(37(42)27-11-7-4-8-12-27)23-32(35)33-24-29(14-20-36(33)41)38(43)34(40-44-25-26-9-5-3-6-10-26)21-22-45-31-17-15-30(39)16-18-31;1-2-40-34-19-13-26(36(41)25-9-5-3-6-10-25)23-31(34)32-24-27(14-20-35(32)40)37(42)33(21-22-46-29-17-15-28(38)16-18-29)39-45-47(43,44)30-11-7-4-8-12-30;1-2-40-34-19-13-26(36(41)25-9-5-3-6-10-25)23-31(34)32-24-27(14-20-35(32)40)37(42)33(21-22-45-29-17-15-28(38)16-18-29)39-44-46(43)30-11-7-4-8-12-30;1-2-38-28-14-8-21(30(39)20-6-4-3-5-7-20)18-25(28)26-19-22(9-15-29(26)38)31(40)27(37-43-45(41,42)32(34,35)36)16-17-44-24-12-10-23(33)11-13-24;1-2-38-28-14-8-21(30(39)20-6-4-3-5-7-20)18-25(28)26-19-22(9-15-29(26)38)31(40)27(37-42-44(41)32(34,35)36)16-17-43-24-12-10-23(33)11-13-24/h3-20,23-24H,2,21-22,25H2,1H3;3-20,23-24H,2,21-22H2,1H3;3-20,23-24H,2,21-22H2,1H3;3-15,18-19H,2,16-17H2,1H3;3-15,18-19H,2,16-17H2,1H3/b40-34+;2*39-33+;2*37-27+
InChIKeyMEMUSFPWVGBMEM-OTBYSRAXSA-N
XLogP44.53
TPSA405.72 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds58
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003307.94
LogP ≤ 544.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze [(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-phenylmethoxyiminobutan-1-one with MolForge

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Related Compounds

(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-methoxyiminobutan-1-one;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate
CID 172922885
(2E)-4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-methoxyiminobutan-1-one;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] benzenesulfinate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-phenylmethoxyiminobutan-1-one
CID 172928466
(2E)-4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-methoxyiminobutan-1-one;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] benzenesulfinate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-(2-oxopropoxyimino)butan-1-one
CID 172934604
CID 172941557
CID 172941557
[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfonate;bis([(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate);(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-phenylmethoxyiminobutan-1-one
CID 172944128
[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] phenylsulfanylformate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-phenylmethoxyiminobutan-1-one
CID 172950139
[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzoate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] N,N-diethylcarbamate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] hexanoate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] phenyl carbonate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] propanoate;[(E)-[1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] 2,2,2-trifluoroacetate
CID 172960385
(2E)-4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-hexoxyiminobutan-1-one;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] diethyl phosphate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] hexanoate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] phenylsulfanylformate;[(E)-[4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-4-(4-chlorophenyl)sulfanyl-1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]-2-phenylmethoxyiminobutan-1-one
CID 172963483
(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-hexoxyiminobutan-1-one;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] diethyl phosphate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] hexanoate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] phenylsulfanylformate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-phenylmethoxyiminobutan-1-one
CID 172963955
[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-phenylmethoxyiminobutan-1-one;(2E)-1-[4-(4-benzoylphenyl)sulfanylphenyl]-4-(4-chlorophenyl)sulfanyl-2-methoxyiminobutan-1-one
CID 172965020
(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-hexoxyiminobutan-1-one;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] phenylsulfanylformate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-phenylmethoxyiminobutan-1-one
CID 172965523
2-[(4-chloro-2-methylphenyl)methyl]-1-(1,1-dideuterioethyl)-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(1,1,2,2,2-pentadeuterioethyl)indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-1-(1,1,2,2-tetradeuterio-2-fluoroethyl)indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-(trideuteriomethoxy)ethyl]-1-(2-fluoroethyl)indole-5-carboxamide;2-[(4-chloro-2-methylphenyl)methyl]-1-(2-fluoroethyl)-N-[(1R)-2-hydroxy-1-[4-(trideuteriomethylsulfonyl)phenyl]ethyl]indole-5-carboxamide;2-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]-1-(2-fluoroethyl)-N-[(1R)-2-hydroxy-1-[4-(1,1,2,2,2-pentadeuterioethylsulfonyl)phenyl]ethyl]indole-5-carboxamide
CID 160284989

Frequently Asked Questions

What is the IUPAC name of [(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-phenylmethoxyiminobutan-1-one?
The IUPAC name of [(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-phenylmethoxyiminobutan-1-one (CID 172918689) is [(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-phenylmethoxyiminobutan-1-one.
What is the SMILES notation for [(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-phenylmethoxyiminobutan-1-one?
The canonical SMILES for [(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-phenylmethoxyiminobutan-1-one is CCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OCc3ccccc3)cc2c2cc(C(=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OS(=O)(=O)C(F)(F)F)cc2c2cc(C(=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OS(=O)(=O)c3ccccc3)cc2c2cc(C(=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OS(=O)C(F)(F)F)cc2c2cc(C(=O)c3ccccc3)ccc21.CCn1c2ccc(C(=O)/C(CCSc3ccc(Cl)cc3)=N/OS(=O)c3ccccc3)cc2c2cc(C(=O)c3ccccc3)ccc21.
What is the InChIKey of [(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-phenylmethoxyiminobutan-1-one?
The InChIKey is MEMUSFPWVGBMEM-OTBYSRAXSA-N. The full InChI is InChI=1S/C38H31ClN2O3S.C37H29ClN2O5S2.C37H29ClN2O4S2.C32H24ClF3N2O5S2.C32H24ClF3N2O4S2/c1-2-41-35-19-13-28(37(42)27-11-7-4-8-12-27)23-32(35)33-24-29(14-20-36(33)41)38(43)34(40-44-25-26-9-5-3-6-10-26)21-22-45-31-17-15-30(39)16-18-31;1-2-40-34-19-13-26(36(41)25-9-5-3-6-10-25)23-31(34)32-24-27(14-20-35(32)40)37(42)33(21-22-46-29-17-15-28(38)16-18-29)39-45-47(43,44)30-11-7-4-8-12-30;1-2-40-34-19-13-26(36(41)25-9-5-3-6-10-25)23-31(34)32-24-27(14-20-35(32)40)37(42)33(21-22-45-29-17-15-28(38)16-18-29)39-44-46(43)30-11-7-4-8-12-30;1-2-38-28-14-8-21(30(39)20-6-4-3-5-7-20)18-25(28)26-19-22(9-15-29(26)38)31(40)27(37-43-45(41,42)32(34,35)36)16-17-44-24-12-10-23(33)11-13-24;1-2-38-28-14-8-21(30(39)20-6-4-3-5-7-20)18-25(28)26-19-22(9-15-29(26)38)31(40)27(37-42-44(41)32(34,35)36)16-17-43-24-12-10-23(33)11-13-24/h3-20,23-24H,2,21-22,25H2,1H3;3-20,23-24H,2,21-22H2,1H3;3-20,23-24H,2,21-22H2,1H3;3-15,18-19H,2,16-17H2,1H3;3-15,18-19H,2,16-17H2,1H3/b40-34+;2*39-33+;2*37-27+.
What are the key properties of [(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-phenylmethoxyiminobutan-1-one?
[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-phenylmethoxyiminobutan-1-one has a molecular weight of 3307.94 g/mol, XLogP of 44.53, 58 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] benzenesulfonate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfinate;[(E)-[1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-1-oxobutan-2-ylidene]amino] trifluoromethanesulfonate;(2E)-1-(6-benzoyl-9-ethylcarbazol-3-yl)-4-(4-chlorophenyl)sulfanyl-2-phenylmethoxyiminobutan-1-one is sourced from PubChem (CID 172918689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).