1-[[5-[5-(4-chloro-3-methylphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3,4-dichlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(7-ethoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-fluoro-5-hydroxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzenesulfonamide;1-[[5-[5-(1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(3-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

C145H126Cl3FN26O24S9 — CID 159933926

IUPAC1-[[5-[5-(4-chloro-3-methylphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3,4-dichlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(7-ethoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-fluoro-5-hydroxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzenesulfonamide;1-[[5-[5-(1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(3-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
SMILESC=C(O)CSc1n[nH]c(-c2ccc(-c3cccc(OC)c3)o2)n1.C=C(O)CSc1n[nH]c(-c2ccc(-c3cccc(S(N)(=O)=O)c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cc(O)cc(F)c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc(Cl)c(C)c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc4cc[nH]c4c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cccc(OCc4ccc(Cl)c(Cl)c4)c3)o2)n1.CCOc1ccc2ccc(-c3ccc(-c4nc(SCC(C)=O)n[nH]4)o3)cc2c1.COc1cc(-c2ccc(-c3nc(SCC(C)=O)n[nH]3)o2)ccc1OCc1ccccc1
InChIInChI=1S/C23H21N3O4S.C22H17Cl2N3O3S.C21H19N3O3S.C17H14N4O2S.C16H14ClN3O2S.C16H15N3O3S.C15H12FN3O3S.C15H14N4O4S2/c1-15(27)14-31-23-24-22(25-26-23)20-11-10-18(30-20)17-8-9-19(21(12-17)28-2)29-13-16-6-4-3-5-7-16;1-13(28)12-31-22-25-21(26-27-22)20-8-7-19(30-20)15-3-2-4-16(10-15)29-11-14-5-6-17(23)18(24)9-14;1-3-26-17-7-6-14-4-5-15(10-16(14)11-17)18-8-9-19(27-18)20-22-21(24-23-20)28-12-13(2)25;1-10(22)9-24-17-19-16(20-21-17)15-5-4-14(23-15)12-3-2-11-6-7-18-13(11)8-12;1-9-7-11(3-4-12(9)17)13-5-6-14(22-13)15-18-16(20-19-15)23-8-10(2)21;1-10(20)9-23-16-17-15(18-19-16)14-7-6-13(22-14)11-4-3-5-12(8-11)21-2;1-8(20)7-23-15-17-14(18-19-15)13-3-2-12(22-13)9-4-10(16)6-11(21)5-9;1-9(20)8-24-15-17-14(18-19-15)13-6-5-12(23-13)10-3-2-4-11(7-10)25(16,21)22/h3-12H,13-14H2,1-2H3,(H,24,25,26);2-10H,11-12H2,1H3,(H,25,26,27);4-11H,3,12H2,1-2H3,(H,22,23,24);2-8,18H,9H2,1H3,(H,19,20,21);3-7H,8H2,1-2H3,(H,18,19,20);3-8,20H,1,9H2,2H3,(H,17,18,19);2-6,21H,7H2,1H3,(H,17,18,19);2-7,20H,1,8H2,(H2,16,21,22)(H,17,18,19)
InChIKeyNZZMLSKVCZTTMZ-UHFFFAOYSA-N
MW3030.72 g/mol
LogP34.24
Rot. Bonds51

About 1-[[5-[5-(4-chloro-3-methylphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3,4-dichlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(7-ethoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-fluoro-5-hydroxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzenesulfonamide;1-[[5-[5-(1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(3-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

1-[[5-[5-(4-chloro-3-methylphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3,4-dichlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(7-ethoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-fluoro-5-hydroxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzenesulfonamide;1-[[5-[5-(1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(3-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one (PubChem CID 159933926) has the molecular formula C145H126Cl3FN26O24S9 and a molecular weight of 3030.72 g/mol. Its IUPAC name is 1-[[5-[5-(4-chloro-3-methylphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3,4-dichlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(7-ethoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-fluoro-5-hydroxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzenesulfonamide;1-[[5-[5-(1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(3-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one.

Molecular Properties

Compound Name1-[[5-[5-(4-chloro-3-methylphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3,4-dichlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(7-ethoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-fluoro-5-hydroxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzenesulfonamide;1-[[5-[5-(1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(3-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
PubChem CID159933926
Molecular FormulaC145H126Cl3FN26O24S9
Molecular Weight3030.72 g/mol
Exact Mass3026.60
IUPAC Name1-[[5-[5-(4-chloro-3-methylphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3,4-dichlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(7-ethoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-fluoro-5-hydroxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzenesulfonamide;1-[[5-[5-(1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(3-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
SMILESC=C(O)CSc1n[nH]c(-c2ccc(-c3cccc(OC)c3)o2)n1.C=C(O)CSc1n[nH]c(-c2ccc(-c3cccc(S(N)(=O)=O)c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cc(O)cc(F)c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc(Cl)c(C)c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc4cc[nH]c4c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cccc(OCc4ccc(Cl)c(Cl)c4)c3)o2)n1.CCOc1ccc2ccc(-c3ccc(-c4nc(SCC(C)=O)n[nH]4)o3)cc2c1.COc1cc(-c2ccc(-c3nc(SCC(C)=O)n[nH]3)o2)ccc1OCc1ccccc1
InChIInChI=1S/C23H21N3O4S.C22H17Cl2N3O3S.C21H19N3O3S.C17H14N4O2S.C16H14ClN3O2S.C16H15N3O3S.C15H12FN3O3S.C15H14N4O4S2/c1-15(27)14-31-23-24-22(25-26-23)20-11-10-18(30-20)17-8-9-19(21(12-17)28-2)29-13-16-6-4-3-5-7-16;1-13(28)12-31-22-25-21(26-27-22)20-8-7-19(30-20)15-3-2-4-16(10-15)29-11-14-5-6-17(23)18(24)9-14;1-3-26-17-7-6-14-4-5-15(10-16(14)11-17)18-8-9-19(27-18)20-22-21(24-23-20)28-12-13(2)25;1-10(22)9-24-17-19-16(20-21-17)15-5-4-14(23-15)12-3-2-11-6-7-18-13(11)8-12;1-9-7-11(3-4-12(9)17)13-5-6-14(22-13)15-18-16(20-19-15)23-8-10(2)21;1-10(20)9-23-16-17-15(18-19-16)14-7-6-13(22-14)11-4-3-5-12(8-11)21-2;1-8(20)7-23-15-17-14(18-19-15)13-3-2-12(22-13)9-4-10(16)6-11(21)5-9;1-9(20)8-24-15-17-14(18-19-15)13-6-5-12(23-13)10-3-2-4-11(7-10)25(16,21)22/h3-12H,13-14H2,1-2H3,(H,24,25,26);2-10H,11-12H2,1H3,(H,25,26,27);4-11H,3,12H2,1-2H3,(H,22,23,24);2-8,18H,9H2,1H3,(H,19,20,21);3-7H,8H2,1-2H3,(H,18,19,20);3-8,20H,1,9H2,2H3,(H,17,18,19);2-6,21H,7H2,1H3,(H,17,18,19);2-7,20H,1,8H2,(H2,16,21,22)(H,17,18,19)
InChIKeyNZZMLSKVCZTTMZ-UHFFFAOYSA-N
XLogP34.24
TPSA722.89 Ų
H-Bond Donors13
H-Bond Acceptors48
Rotatable Bonds51
Heavy Atoms208
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003030.72
LogP ≤ 534.24
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-[[5-[5-(4-chloro-3-methylphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3,4-dichlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(7-ethoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-fluoro-5-hydroxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzenesulfonamide;1-[[5-[5-(1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(3-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[5-(4-chloro-3-methylphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3,4-dichlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(7-ethoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-fluoro-5-hydroxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzenesulfonamide;1-[[5-[5-(1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(3-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one?
The IUPAC name of 1-[[5-[5-(4-chloro-3-methylphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3,4-dichlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(7-ethoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-fluoro-5-hydroxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzenesulfonamide;1-[[5-[5-(1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(3-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one (CID 159933926) is 1-[[5-[5-(4-chloro-3-methylphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3,4-dichlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(7-ethoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-fluoro-5-hydroxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzenesulfonamide;1-[[5-[5-(1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(3-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one.
What is the SMILES notation for 1-[[5-[5-(4-chloro-3-methylphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3,4-dichlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(7-ethoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-fluoro-5-hydroxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzenesulfonamide;1-[[5-[5-(1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(3-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one?
The canonical SMILES for 1-[[5-[5-(4-chloro-3-methylphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3,4-dichlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(7-ethoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-fluoro-5-hydroxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzenesulfonamide;1-[[5-[5-(1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(3-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one is C=C(O)CSc1n[nH]c(-c2ccc(-c3cccc(OC)c3)o2)n1.C=C(O)CSc1n[nH]c(-c2ccc(-c3cccc(S(N)(=O)=O)c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cc(O)cc(F)c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc(Cl)c(C)c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc4cc[nH]c4c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cccc(OCc4ccc(Cl)c(Cl)c4)c3)o2)n1.CCOc1ccc2ccc(-c3ccc(-c4nc(SCC(C)=O)n[nH]4)o3)cc2c1.COc1cc(-c2ccc(-c3nc(SCC(C)=O)n[nH]3)o2)ccc1OCc1ccccc1.
What is the InChIKey of 1-[[5-[5-(4-chloro-3-methylphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3,4-dichlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(7-ethoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-fluoro-5-hydroxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzenesulfonamide;1-[[5-[5-(1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(3-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one?
The InChIKey is NZZMLSKVCZTTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S.C22H17Cl2N3O3S.C21H19N3O3S.C17H14N4O2S.C16H14ClN3O2S.C16H15N3O3S.C15H12FN3O3S.C15H14N4O4S2/c1-15(27)14-31-23-24-22(25-26-23)20-11-10-18(30-20)17-8-9-19(21(12-17)28-2)29-13-16-6-4-3-5-7-16;1-13(28)12-31-22-25-21(26-27-22)20-8-7-19(30-20)15-3-2-4-16(10-15)29-11-14-5-6-17(23)18(24)9-14;1-3-26-17-7-6-14-4-5-15(10-16(14)11-17)18-8-9-19(27-18)20-22-21(24-23-20)28-12-13(2)25;1-10(22)9-24-17-19-16(20-21-17)15-5-4-14(23-15)12-3-2-11-6-7-18-13(11)8-12;1-9-7-11(3-4-12(9)17)13-5-6-14(22-13)15-18-16(20-19-15)23-8-10(2)21;1-10(20)9-23-16-17-15(18-19-16)14-7-6-13(22-14)11-4-3-5-12(8-11)21-2;1-8(20)7-23-15-17-14(18-19-15)13-3-2-12(22-13)9-4-10(16)6-11(21)5-9;1-9(20)8-24-15-17-14(18-19-15)13-6-5-12(23-13)10-3-2-4-11(7-10)25(16,21)22/h3-12H,13-14H2,1-2H3,(H,24,25,26);2-10H,11-12H2,1H3,(H,25,26,27);4-11H,3,12H2,1-2H3,(H,22,23,24);2-8,18H,9H2,1H3,(H,19,20,21);3-7H,8H2,1-2H3,(H,18,19,20);3-8,20H,1,9H2,2H3,(H,17,18,19);2-6,21H,7H2,1H3,(H,17,18,19);2-7,20H,1,8H2,(H2,16,21,22)(H,17,18,19).
What are the key properties of 1-[[5-[5-(4-chloro-3-methylphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3,4-dichlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(7-ethoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-fluoro-5-hydroxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzenesulfonamide;1-[[5-[5-(1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(3-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one?
1-[[5-[5-(4-chloro-3-methylphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3,4-dichlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(7-ethoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-fluoro-5-hydroxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzenesulfonamide;1-[[5-[5-(1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(3-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one has a molecular weight of 3030.72 g/mol, XLogP of 34.24, 51 rotatable bonds, 13 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[5-(4-chloro-3-methylphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3,4-dichlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(7-ethoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-fluoro-5-hydroxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[5-[3-(2-hydroxyprop-2-enylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]benzenesulfonamide;1-[[5-[5-(1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(3-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one is sourced from PubChem (CID 159933926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).