5-[[5-[3-(3-chloro-5-methoxyphenyl)-5-nitrophenyl]-4H-pyrazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole;5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole

C112H88ClF3N34O11S6 — CID 161273886

About 5-[[5-[3-(3-chloro-5-methoxyphenyl)-5-nitrophenyl]-4H-pyrazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole;5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole

5-[[5-[3-(3-chloro-5-methoxyphenyl)-5-nitrophenyl]-4H-pyrazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole;5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole (PubChem CID 161273886) has the molecular formula C112H88ClF3N34O11S6 and a molecular weight of 2371.01 g/mol. Its IUPAC name is 5-[[5-[3-(3-chloro-5-methoxyphenyl)-5-nitrophenyl]-4H-pyrazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole;5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole.

Molecular Properties

• Compound Name: 5-[[5-[3-(3-chloro-5-methoxyphenyl)-5-nitrophenyl]-4H-pyrazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole;5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole
• PubChem CID: 161273886
• Molecular Formula: C112H88ClF3N34O11S6
• Molecular Weight: 2371.01 g/mol
• Exact Mass: 2368.53
• IUPAC Name: 5-[[5-[3-(3-chloro-5-methoxyphenyl)-5-nitrophenyl]-4H-pyrazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole;5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole
• SMILES: C1=Cc2cc(-c3ccc(-c4nc(SCC5=NN=CC5)n[nH]4)o3)ccc2C1.C1=NN=C(CSc2n[nH]c(-c3ccc(-c4ccc5cc[nH]c5c4)o3)n2)C1.COc1cc(Cl)cc(-c2cc(C3=NN=C(SCc4ncn[nH]4)C3)cc([N+](=O)[O-])c2)c1.COc1ccc(C(F)(F)F)cc1-c1ccc(-c2nc(SCC3=NN=CC3)n[nH]2)o1.COc1ccc2cc(-c3ccc(-c4nc(SCC5=NN=CC5)n[nH]4)o3)ccc2c1.O=c1[nH]c2ccc(-c3ccc(-c4nc(SCC5=NN=CC5)n[nH]4)o3)cc2[nH]1
• InChI: InChI=1S/C21H17N5O2S.C19H15ClN6O3S.C19H15N5OS.C18H14F3N5O2S.C18H14N6OS.C17H13N7O2S/c1-27-17-5-4-13-10-15(3-2-14(13)11-17)18-6-7-19(28-18)20-23-21(26-25-20)29-12-16-8-9-22-24-16;1-29-16-6-12(3-14(20)7-16)11-2-13(5-15(4-11)26(27)28)17-8-19(25-23-17)30-9-18-21-10-22-24-18;1-2-12-4-5-14(10-13(12)3-1)16-6-7-17(25-16)18-21-19(24-23-18)26-11-15-8-9-20-22-15;1-27-13-3-2-10(18(19,20)21)8-12(13)14-4-5-15(28-14)16-23-17(26-25-16)29-9-11-6-7-22-24-11;1-2-12(9-14-11(1)5-7-19-14)15-3-4-16(25-15)17-21-18(24-23-17)26-10-13-6-8-20-22-13;25-16-19-11-2-1-9(7-12(11)20-16)13-3-4-14(26-13)15-21-17(24-23-15)27-8-10-5-6-18-22-10/h2-7,9-11H,8,12H2,1H3,(H,23,25,26);2-7,10H,8-9H2,1H3,(H,21,22,24);1,3-7,9-10H,2,8,11H2,(H,21,23,24);2-5,7-8H,6,9H2,1H3,(H,23,25,26);1-5,7-9,19H,6,10H2,(H,21,23,24);1-4,6-7H,5,8H2,(H2,19,20,25)(H,21,23,24)
• InChIKey: VEEKMYWMLLRQII-UHFFFAOYSA-N
• XLogP: 25.16
• TPSA: 598.71 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 41
• Rotatable Bonds: 33
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2371.01
LogP ≤ 5	25.16
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[3-(3-chloro-5-methoxyphenyl)-5-nitrophenyl]-4H-pyrazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole;5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole?

The IUPAC name of 5-[[5-[3-(3-chloro-5-methoxyphenyl)-5-nitrophenyl]-4H-pyrazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole;5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole (CID 161273886) is 5-[[5-[3-(3-chloro-5-methoxyphenyl)-5-nitrophenyl]-4H-pyrazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole;5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole.

What is the SMILES notation for 5-[[5-[3-(3-chloro-5-methoxyphenyl)-5-nitrophenyl]-4H-pyrazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole;5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole?

The canonical SMILES for 5-[[5-[3-(3-chloro-5-methoxyphenyl)-5-nitrophenyl]-4H-pyrazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole;5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole is C1=Cc2cc(-c3ccc(-c4nc(SCC5=NN=CC5)n[nH]4)o3)ccc2C1.C1=NN=C(CSc2n[nH]c(-c3ccc(-c4ccc5cc[nH]c5c4)o3)n2)C1.COc1cc(Cl)cc(-c2cc(C3=NN=C(SCc4ncn[nH]4)C3)cc([N+](=O)[O-])c2)c1.COc1ccc(C(F)(F)F)cc1-c1ccc(-c2nc(SCC3=NN=CC3)n[nH]2)o1.COc1ccc2cc(-c3ccc(-c4nc(SCC5=NN=CC5)n[nH]4)o3)ccc2c1.O=c1[nH]c2ccc(-c3ccc(-c4nc(SCC5=NN=CC5)n[nH]4)o3)cc2[nH]1.

What is the InChIKey of 5-[[5-[3-(3-chloro-5-methoxyphenyl)-5-nitrophenyl]-4H-pyrazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole;5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole?

The InChIKey is VEEKMYWMLLRQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2S.C19H15ClN6O3S.C19H15N5OS.C18H14F3N5O2S.C18H14N6OS.C17H13N7O2S/c1-27-17-5-4-13-10-15(3-2-14(13)11-17)18-6-7-19(28-18)20-23-21(26-25-20)29-12-16-8-9-22-24-16;1-29-16-6-12(3-14(20)7-16)11-2-13(5-15(4-11)26(27)28)17-8-19(25-23-17)30-9-18-21-10-22-24-18;1-2-12-4-5-14(10-13(12)3-1)16-6-7-17(25-16)18-21-19(24-23-18)26-11-15-8-9-20-22-15;1-27-13-3-2-10(18(19,20)21)8-12(13)14-4-5-15(28-14)16-23-17(26-25-16)29-9-11-6-7-22-24-11;1-2-12(9-14-11(1)5-7-19-14)15-3-4-16(25-15)17-21-18(24-23-17)26-10-13-6-8-20-22-13;25-16-19-11-2-1-9(7-12(11)20-16)13-3-4-14(26-13)15-21-17(24-23-15)27-8-10-5-6-18-22-10/h2-7,9-11H,8,12H2,1H3,(H,23,25,26);2-7,10H,8-9H2,1H3,(H,21,22,24);1,3-7,9-10H,2,8,11H2,(H,21,23,24);2-5,7-8H,6,9H2,1H3,(H,23,25,26);1-5,7-9,19H,6,10H2,(H,21,23,24);1-4,6-7H,5,8H2,(H2,19,20,25)(H,21,23,24).

What are the key properties of 5-[[5-[3-(3-chloro-5-methoxyphenyl)-5-nitrophenyl]-4H-pyrazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole;5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole?

5-[[5-[3-(3-chloro-5-methoxyphenyl)-5-nitrophenyl]-4H-pyrazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole;5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole has a molecular weight of 2371.01 g/mol, XLogP of 25.16, 33 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-[3-(3-chloro-5-methoxyphenyl)-5-nitrophenyl]-4H-pyrazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole;5-[5-(1H-inden-5-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(6-methoxynaphthalen-2-yl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[2-methoxy-5-(trifluoromethyl)phenyl]furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1,3-dihydrobenzimidazol-2-one;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-1H-indole is sourced from PubChem (CID 161273886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).