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;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(5-phenylmethoxy-1H-indol-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

C121H103Cl3FN19O18S6 — CID 159341908

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;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(5-phenylmethoxy-1H-indol-2-yl)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;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(5-phenylmethoxy-1H-indol-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one (PubChem CID 159341908) has the molecular formula C121H103Cl3FN19O18S6 and a molecular weight of 2429.03 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;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(5-phenylmethoxy-1H-indol-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one.

Molecular Properties

• Compound Name: 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;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(5-phenylmethoxy-1H-indol-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
• PubChem CID: 159341908
• Molecular Formula: C121H103Cl3FN19O18S6
• Molecular Weight: 2429.03 g/mol
• Exact Mass: 2425.51
• IUPAC Name: 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;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(5-phenylmethoxy-1H-indol-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
• SMILES: CC(=O)CSc1n[nH]c(-c2ccc(-c3cc(O)cc(F)c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cc4cc(OCc5ccccc5)ccc4[nH]3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc(Cl)c(C)c3)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
• InChI: InChI=1S/C24H20N4O3S.C23H21N3O4S.C22H17Cl2N3O3S.C21H19N3O3S.C16H14ClN3O2S.C15H12FN3O3S/c1-15(29)14-32-24-26-23(27-28-24)22-10-9-21(31-22)20-12-17-11-18(7-8-19(17)25-20)30-13-16-5-3-2-4-6-16;1-15(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;1-9-7-11(3-4-12(9)17)13-5-6-14(22-13)15-18-16(20-19-15)23-8-10(2)21;1-8(20)7-23-15-17-14(18-19-15)13-3-2-12(22-13)9-4-10(16)6-11(21)5-9/h2-12,25H,13-14H2,1H3,(H,26,27,28);3-12H,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);3-7H,8H2,1-2H3,(H,18,19,20);2-6,21H,7H2,1H3,(H,17,18,19)
• InChIKey: LGFYNABVYHLGOV-UHFFFAOYSA-N
• XLogP: 29.37
• TPSA: 512.85 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 42
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2429.03
LogP ≤ 5	29.37
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

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;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(5-phenylmethoxy-1H-indol-2-yl)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;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(5-phenylmethoxy-1H-indol-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one (CID 159341908) 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;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(5-phenylmethoxy-1H-indol-2-yl)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;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(5-phenylmethoxy-1H-indol-2-yl)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;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(5-phenylmethoxy-1H-indol-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one is CC(=O)CSc1n[nH]c(-c2ccc(-c3cc(O)cc(F)c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cc4cc(OCc5ccccc5)ccc4[nH]3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc(Cl)c(C)c3)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;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(5-phenylmethoxy-1H-indol-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one?

The InChIKey is LGFYNABVYHLGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3S.C23H21N3O4S.C22H17Cl2N3O3S.C21H19N3O3S.C16H14ClN3O2S.C15H12FN3O3S/c1-15(29)14-32-24-26-23(27-28-24)22-10-9-21(31-22)20-12-17-11-18(7-8-19(17)25-20)30-13-16-5-3-2-4-6-16;1-15(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;1-9-7-11(3-4-12(9)17)13-5-6-14(22-13)15-18-16(20-19-15)23-8-10(2)21;1-8(20)7-23-15-17-14(18-19-15)13-3-2-12(22-13)9-4-10(16)6-11(21)5-9/h2-12,25H,13-14H2,1H3,(H,26,27,28);3-12H,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);3-7H,8H2,1-2H3,(H,18,19,20);2-6,21H,7H2,1H3,(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;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(5-phenylmethoxy-1H-indol-2-yl)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;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(5-phenylmethoxy-1H-indol-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one has a molecular weight of 2429.03 g/mol, XLogP of 29.37, 42 rotatable bonds, 8 hydrogen bond donors, and 36 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;1-[[5-[5-(3-methoxy-4-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(5-phenylmethoxy-1H-indol-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one is sourced from PubChem (CID 159341908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).