1-[[5-[5-(1-benzofuran-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[4-bromo-5-(6-methoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(4-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;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-(naphthalen-2-ylmethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

C126H105BrClN23O20S8 — CID 161232202

About 1-[[5-[5-(1-benzofuran-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[4-bromo-5-(6-methoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(4-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;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-(naphthalen-2-ylmethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

1-[[5-[5-(1-benzofuran-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[4-bromo-5-(6-methoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(4-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;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-(naphthalen-2-ylmethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one (PubChem CID 161232202) has the molecular formula C126H105BrClN23O20S8 and a molecular weight of 2633.26 g/mol. Its IUPAC name is 1-[[5-[5-(1-benzofuran-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[4-bromo-5-(6-methoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(4-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;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-(naphthalen-2-ylmethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one.

Molecular Properties

• Compound Name: 1-[[5-[5-(1-benzofuran-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[4-bromo-5-(6-methoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(4-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;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-(naphthalen-2-ylmethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
• PubChem CID: 161232202
• Molecular Formula: C126H105BrClN23O20S8
• Molecular Weight: 2633.26 g/mol
• Exact Mass: 2629.45
• IUPAC Name: 1-[[5-[5-(1-benzofuran-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[4-bromo-5-(6-methoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(4-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;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-(naphthalen-2-ylmethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
• SMILES: C=C(O)CSc1n[nH]c(-c2ccc(-c3ccc(Cl)cc3)o2)n1.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(-c3ccc4cc[nH]c4c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc4occc4c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cccc(OCc4ccc5ccccc5c4)c3)o2)n1.COc1ccc2cc(-c3oc(-c4nc(SCC(C)=O)n[nH]4)cc3Br)ccc2c1
• InChI: InChI=1S/C26H21N3O3S.C20H16BrN3O3S.C17H14N4O2S.C17H13N3O3S.C16H15N3O3S.C15H12ClN3O2S.C15H14N4O4S2/c1-17(30)16-33-26-27-25(28-29-26)24-12-11-23(32-24)21-7-4-8-22(14-21)31-15-18-9-10-19-5-2-3-6-20(19)13-18;1-11(25)10-28-20-22-19(23-24-20)17-9-16(21)18(27-17)14-4-3-13-8-15(26-2)6-5-12(13)7-14;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;1-10(21)9-24-17-18-16(19-20-17)15-5-4-14(23-15)11-2-3-13-12(8-11)6-7-22-13;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;1-9(20)8-22-15-17-14(18-19-15)13-7-6-12(21-13)10-2-4-11(16)5-3-10;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/h2-14H,15-16H2,1H3,(H,27,28,29);3-9H,10H2,1-2H3,(H,22,23,24);2-8,18H,9H2,1H3,(H,19,20,21);2-8H,9H2,1H3,(H,18,19,20);3-8,20H,1,9H2,2H3,(H,17,18,19);2-7,20H,1,8H2,(H,17,18,19);2-7,20H,1,8H2,(H2,16,21,22)(H,17,18,19)
• InChIKey: UYWZOVQUUXUIDY-UHFFFAOYSA-N
• XLogP: 30.53
• TPSA: 628.72 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 41
• Rotatable Bonds: 41
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2633.26
LogP ≤ 5	30.53
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[5-(1-benzofuran-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[4-bromo-5-(6-methoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(4-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;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-(naphthalen-2-ylmethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one?

The IUPAC name of 1-[[5-[5-(1-benzofuran-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[4-bromo-5-(6-methoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(4-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;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-(naphthalen-2-ylmethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one (CID 161232202) is 1-[[5-[5-(1-benzofuran-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[4-bromo-5-(6-methoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(4-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;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-(naphthalen-2-ylmethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one.

What is the SMILES notation for 1-[[5-[5-(1-benzofuran-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[4-bromo-5-(6-methoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(4-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;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-(naphthalen-2-ylmethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one?

The canonical SMILES for 1-[[5-[5-(1-benzofuran-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[4-bromo-5-(6-methoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(4-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;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-(naphthalen-2-ylmethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one is C=C(O)CSc1n[nH]c(-c2ccc(-c3ccc(Cl)cc3)o2)n1.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(-c3ccc4cc[nH]c4c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc4occc4c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cccc(OCc4ccc5ccccc5c4)c3)o2)n1.COc1ccc2cc(-c3oc(-c4nc(SCC(C)=O)n[nH]4)cc3Br)ccc2c1.

What is the InChIKey of 1-[[5-[5-(1-benzofuran-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[4-bromo-5-(6-methoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(4-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;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-(naphthalen-2-ylmethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one?

The InChIKey is UYWZOVQUUXUIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3S.C20H16BrN3O3S.C17H14N4O2S.C17H13N3O3S.C16H15N3O3S.C15H12ClN3O2S.C15H14N4O4S2/c1-17(30)16-33-26-27-25(28-29-26)24-12-11-23(32-24)21-7-4-8-22(14-21)31-15-18-9-10-19-5-2-3-6-20(19)13-18;1-11(25)10-28-20-22-19(23-24-20)17-9-16(21)18(27-17)14-4-3-13-8-15(26-2)6-5-12(13)7-14;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;1-10(21)9-24-17-18-16(19-20-17)15-5-4-14(23-15)11-2-3-13-12(8-11)6-7-22-13;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;1-9(20)8-22-15-17-14(18-19-15)13-7-6-12(21-13)10-2-4-11(16)5-3-10;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/h2-14H,15-16H2,1H3,(H,27,28,29);3-9H,10H2,1-2H3,(H,22,23,24);2-8,18H,9H2,1H3,(H,19,20,21);2-8H,9H2,1H3,(H,18,19,20);3-8,20H,1,9H2,2H3,(H,17,18,19);2-7,20H,1,8H2,(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-(1-benzofuran-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[4-bromo-5-(6-methoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(4-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;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-(naphthalen-2-ylmethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one?

1-[[5-[5-(1-benzofuran-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[4-bromo-5-(6-methoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(4-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;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-(naphthalen-2-ylmethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one has a molecular weight of 2633.26 g/mol, XLogP of 30.53, 41 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-[5-(1-benzofuran-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[4-bromo-5-(6-methoxynaphthalen-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(4-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;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-(naphthalen-2-ylmethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one is sourced from PubChem (CID 161232202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).