3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol

C152H126Cl2F6N32O23S9 — CID 161257981

IUPAC3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol
SMILESC=C(O)CSc1n[nH]c(-c2ccc(-c3ccc(C(F)(F)F)nc3)o2)n1.C=C(O)CSc1n[nH]c(-c2ccc(-c3ccc(OC)nc3)o2)n1.C=C(O)CSc1n[nH]c(-c2ccc(-c3cccc(N)c3)o2)n1.C=C(O)CSc1n[nH]c(-c2ccc(-c3cccc(OCc4ccc(OC(F)(F)F)c(Cl)c4)c3)o2)n1.C=C(O)CSc1n[nH]c(-c2ccc(-c3ccccc3Cl)o2)n1.CC(=O)CSC1=NN=C(c2ccc(Cn3c4ccccc4c4ccccc43)o2)C1.CC(=O)CSc1n[nH]c(-c2cc3ccccc3o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cccc4c3ccn4C)o2)n1
InChIInChI=1S/C23H17ClF3N3O4S.C23H19N3O2S.C18H16N4O2S.C15H12ClN3O2S.C15H11F3N4O2S.C15H12N4O4S.C15H14N4O3S.C15H14N4O2S.C13H11N3O2S/c1-13(31)12-35-22-28-21(29-30-22)20-8-7-18(33-20)15-3-2-4-16(10-15)32-11-14-5-6-19(17(24)9-14)34-23(25,26)27;1-15(27)14-29-23-12-19(24-25-23)22-11-10-16(28-22)13-26-20-8-4-2-6-17(20)18-7-3-5-9-21(18)26;1-11(23)10-25-18-19-17(20-21-18)16-7-6-15(24-16)13-4-3-5-14-12(13)8-9-22(14)2;1-9(20)8-22-15-17-14(18-19-15)13-7-6-12(21-13)10-4-2-3-5-11(10)16;1-8(23)7-25-14-20-13(21-22-14)11-4-3-10(24-11)9-2-5-12(19-6-9)15(16,17)18;1-9(20)8-24-15-16-14(17-18-15)13-7-6-12(23-13)10-2-4-11(5-3-10)19(21)22;1-9(20)8-23-15-17-14(18-19-15)12-5-4-11(22-12)10-3-6-13(21-2)16-7-10;1-9(20)8-22-15-17-14(18-19-15)13-6-5-12(21-13)10-3-2-4-11(16)7-10;1-8(17)7-19-13-14-12(15-16-13)11-6-9-4-2-3-5-10(9)18-11/h2-10,31H,1,11-12H2,(H,28,29,30);2-11H,12-14H2,1H3;3-9H,10H2,1-2H3,(H,19,20,21);2-7,20H,1,8H2,(H,17,18,19);2-6,23H,1,7H2,(H,20,21,22);2-7H,8H2,1H3,(H,16,17,18);3-7,20H,1,8H2,2H3,(H,17,18,19);2-7,20H,1,8,16H2,(H,17,18,19);2-6H,7H2,1H3,(H,14,15,16)
InChIKeyLKZXBQVULIBJPV-UHFFFAOYSA-N
MW3242.38 g/mol
LogP38.05
Rot. Bonds50

About 3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol

3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol (PubChem CID 161257981) has the molecular formula C152H126Cl2F6N32O23S9 and a molecular weight of 3242.38 g/mol. Its IUPAC name is 3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol.

Molecular Properties

Compound Name3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol
PubChem CID161257981
Molecular FormulaC152H126Cl2F6N32O23S9
Molecular Weight3242.38 g/mol
Exact Mass3238.64
IUPAC Name3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol
SMILESC=C(O)CSc1n[nH]c(-c2ccc(-c3ccc(C(F)(F)F)nc3)o2)n1.C=C(O)CSc1n[nH]c(-c2ccc(-c3ccc(OC)nc3)o2)n1.C=C(O)CSc1n[nH]c(-c2ccc(-c3cccc(N)c3)o2)n1.C=C(O)CSc1n[nH]c(-c2ccc(-c3cccc(OCc4ccc(OC(F)(F)F)c(Cl)c4)c3)o2)n1.C=C(O)CSc1n[nH]c(-c2ccc(-c3ccccc3Cl)o2)n1.CC(=O)CSC1=NN=C(c2ccc(Cn3c4ccccc4c4ccccc43)o2)C1.CC(=O)CSc1n[nH]c(-c2cc3ccccc3o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cccc4c3ccn4C)o2)n1
InChIInChI=1S/C23H17ClF3N3O4S.C23H19N3O2S.C18H16N4O2S.C15H12ClN3O2S.C15H11F3N4O2S.C15H12N4O4S.C15H14N4O3S.C15H14N4O2S.C13H11N3O2S/c1-13(31)12-35-22-28-21(29-30-22)20-8-7-18(33-20)15-3-2-4-16(10-15)32-11-14-5-6-19(17(24)9-14)34-23(25,26)27;1-15(27)14-29-23-12-19(24-25-23)22-11-10-16(28-22)13-26-20-8-4-2-6-17(20)18-7-3-5-9-21(18)26;1-11(23)10-25-18-19-17(20-21-18)16-7-6-15(24-16)13-4-3-5-14-12(13)8-9-22(14)2;1-9(20)8-22-15-17-14(18-19-15)13-7-6-12(21-13)10-4-2-3-5-11(10)16;1-8(23)7-25-14-20-13(21-22-14)11-4-3-10(24-11)9-2-5-12(19-6-9)15(16,17)18;1-9(20)8-24-15-16-14(17-18-15)13-7-6-12(23-13)10-2-4-11(5-3-10)19(21)22;1-9(20)8-23-15-17-14(18-19-15)12-5-4-11(22-12)10-3-6-13(21-2)16-7-10;1-9(20)8-22-15-17-14(18-19-15)13-6-5-12(21-13)10-3-2-4-11(16)7-10;1-8(17)7-19-13-14-12(15-16-13)11-6-9-4-2-3-5-10(9)18-11/h2-10,31H,1,11-12H2,(H,28,29,30);2-11H,12-14H2,1H3;3-9H,10H2,1-2H3,(H,19,20,21);2-7,20H,1,8H2,(H,17,18,19);2-6,23H,1,7H2,(H,20,21,22);2-7H,8H2,1H3,(H,16,17,18);3-7,20H,1,8H2,2H3,(H,17,18,19);2-7,20H,1,8,16H2,(H,17,18,19);2-6H,7H2,1H3,(H,14,15,16)
InChIKeyLKZXBQVULIBJPV-UHFFFAOYSA-N
XLogP38.05
TPSA777.46 Ų
H-Bond Donors14
H-Bond Acceptors55
Rotatable Bonds50
Heavy Atoms224
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003242.38
LogP ≤ 538.05
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

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

Analyze 3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol?
The IUPAC name of 3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol (CID 161257981) is 3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol.
What is the SMILES notation for 3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol?
The canonical SMILES for 3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol is C=C(O)CSc1n[nH]c(-c2ccc(-c3ccc(C(F)(F)F)nc3)o2)n1.C=C(O)CSc1n[nH]c(-c2ccc(-c3ccc(OC)nc3)o2)n1.C=C(O)CSc1n[nH]c(-c2ccc(-c3cccc(N)c3)o2)n1.C=C(O)CSc1n[nH]c(-c2ccc(-c3cccc(OCc4ccc(OC(F)(F)F)c(Cl)c4)c3)o2)n1.C=C(O)CSc1n[nH]c(-c2ccc(-c3ccccc3Cl)o2)n1.CC(=O)CSC1=NN=C(c2ccc(Cn3c4ccccc4c4ccccc43)o2)C1.CC(=O)CSc1n[nH]c(-c2cc3ccccc3o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cccc4c3ccn4C)o2)n1.
What is the InChIKey of 3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol?
The InChIKey is LKZXBQVULIBJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3N3O4S.C23H19N3O2S.C18H16N4O2S.C15H12ClN3O2S.C15H11F3N4O2S.C15H12N4O4S.C15H14N4O3S.C15H14N4O2S.C13H11N3O2S/c1-13(31)12-35-22-28-21(29-30-22)20-8-7-18(33-20)15-3-2-4-16(10-15)32-11-14-5-6-19(17(24)9-14)34-23(25,26)27;1-15(27)14-29-23-12-19(24-25-23)22-11-10-16(28-22)13-26-20-8-4-2-6-17(20)18-7-3-5-9-21(18)26;1-11(23)10-25-18-19-17(20-21-18)16-7-6-15(24-16)13-4-3-5-14-12(13)8-9-22(14)2;1-9(20)8-22-15-17-14(18-19-15)13-7-6-12(21-13)10-4-2-3-5-11(10)16;1-8(23)7-25-14-20-13(21-22-14)11-4-3-10(24-11)9-2-5-12(19-6-9)15(16,17)18;1-9(20)8-24-15-16-14(17-18-15)13-7-6-12(23-13)10-2-4-11(5-3-10)19(21)22;1-9(20)8-23-15-17-14(18-19-15)12-5-4-11(22-12)10-3-6-13(21-2)16-7-10;1-9(20)8-22-15-17-14(18-19-15)13-6-5-12(21-13)10-3-2-4-11(16)7-10;1-8(17)7-19-13-14-12(15-16-13)11-6-9-4-2-3-5-10(9)18-11/h2-10,31H,1,11-12H2,(H,28,29,30);2-11H,12-14H2,1H3;3-9H,10H2,1-2H3,(H,19,20,21);2-7,20H,1,8H2,(H,17,18,19);2-6,23H,1,7H2,(H,20,21,22);2-7H,8H2,1H3,(H,16,17,18);3-7,20H,1,8H2,2H3,(H,17,18,19);2-7,20H,1,8,16H2,(H,17,18,19);2-6H,7H2,1H3,(H,14,15,16).
What are the key properties of 3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol?
3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol has a molecular weight of 3242.38 g/mol, XLogP of 38.05, 50 rotatable bonds, 14 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[5-(3-aminophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-(1-benzofuran-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(2-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-[3-[[3-chloro-4-(trifluoromethoxy)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-nitrophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol is sourced from PubChem (CID 161257981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).