5-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-(5-naphthalen-2-ylfuran-2-yl)-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-phenylphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-8-(trifluoromethyl)quinoline

C116H84Cl2F3N33O6S6 — CID 160786488

About 5-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-(5-naphthalen-2-ylfuran-2-yl)-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-phenylphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-8-(trifluoromethyl)quinoline

5-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-(5-naphthalen-2-ylfuran-2-yl)-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-phenylphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-8-(trifluoromethyl)quinoline (PubChem CID 160786488) has the molecular formula C116H84Cl2F3N33O6S6 and a molecular weight of 2356.47 g/mol. Its IUPAC name is 5-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-(5-naphthalen-2-ylfuran-2-yl)-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-phenylphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-8-(trifluoromethyl)quinoline.

Molecular Properties

• Compound Name: 5-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-(5-naphthalen-2-ylfuran-2-yl)-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-phenylphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-8-(trifluoromethyl)quinoline
• PubChem CID: 160786488
• Molecular Formula: C116H84Cl2F3N33O6S6
• Molecular Weight: 2356.47 g/mol
• Exact Mass: 2353.49
• IUPAC Name: 5-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-(5-naphthalen-2-ylfuran-2-yl)-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-phenylphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-8-(trifluoromethyl)quinoline
• SMILES: C1=NN=C(CSc2n[nH]c(-c3ccc(-c4ccc5ccccc5c4)o3)n2)C1.C1=NN=C(CSc2n[nH]c(-c3ccc(-c4ccc5ncccc5c4)o3)n2)C1.C1=NN=C(CSc2n[nH]c(-c3ccc(-c4cccc(-c5ccccc5)c4)o3)n2)C1.C1=NN=C(CSc2n[nH]c(-c3ccc(-c4cnc5ccccc5c4)o3)n2)C1.Clc1cc(Cl)cc(-c2ccc(-c3nc(SCC4=NN=CC4)n[nH]3)o2)c1.FC(F)(F)c1cc(-c2ccc(-c3nc(SCC4=NN=CC4)n[nH]3)o2)cc2cccnc12
• InChI: InChI=1S/C22H17N5OS.C20H13F3N6OS.C20H15N5OS.2C19H14N6OS.C16H11Cl2N5OS/c1-2-5-15(6-3-1)16-7-4-8-17(13-16)19-9-10-20(28-19)21-24-22(27-26-21)29-14-18-11-12-23-25-18;21-20(22,23)14-9-12(8-11-2-1-6-24-17(11)14)15-3-4-16(30-15)18-26-19(29-28-18)31-10-13-5-7-25-27-13;1-2-4-14-11-15(6-5-13(14)3-1)17-7-8-18(26-17)19-22-20(25-24-19)27-12-16-9-10-21-23-16;1-2-12-10-13(3-4-15(12)20-8-1)16-5-6-17(26-16)18-22-19(25-24-18)27-11-14-7-9-21-23-14;1-2-4-15-12(3-1)9-13(10-20-15)16-5-6-17(26-16)18-22-19(25-24-18)27-11-14-7-8-21-23-14;17-10-5-9(6-11(18)7-10)13-1-2-14(24-13)15-20-16(23-22-15)25-8-12-3-4-19-21-12/h1-10,12-13H,11,14H2,(H,24,26,27);1-4,6-9H,5,10H2,(H,26,28,29);1-8,10-11H,9,12H2,(H,22,24,25);2*1-6,8-10H,7,11H2,(H,22,24,25);1-2,4-7H,3,8H2,(H,20,22,23)
• InChIKey: SBGWCUWUJMBFRJ-UHFFFAOYSA-N
• XLogP: 28.72
• TPSA: 515.25 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 31
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2356.47
LogP ≤ 5	28.72
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-(5-naphthalen-2-ylfuran-2-yl)-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-phenylphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-8-(trifluoromethyl)quinoline?

The IUPAC name of 5-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-(5-naphthalen-2-ylfuran-2-yl)-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-phenylphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-8-(trifluoromethyl)quinoline (CID 160786488) is 5-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-(5-naphthalen-2-ylfuran-2-yl)-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-phenylphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-8-(trifluoromethyl)quinoline.

What is the SMILES notation for 5-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-(5-naphthalen-2-ylfuran-2-yl)-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-phenylphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-8-(trifluoromethyl)quinoline?

The canonical SMILES for 5-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-(5-naphthalen-2-ylfuran-2-yl)-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-phenylphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-8-(trifluoromethyl)quinoline is C1=NN=C(CSc2n[nH]c(-c3ccc(-c4ccc5ccccc5c4)o3)n2)C1.C1=NN=C(CSc2n[nH]c(-c3ccc(-c4ccc5ncccc5c4)o3)n2)C1.C1=NN=C(CSc2n[nH]c(-c3ccc(-c4cccc(-c5ccccc5)c4)o3)n2)C1.C1=NN=C(CSc2n[nH]c(-c3ccc(-c4cnc5ccccc5c4)o3)n2)C1.Clc1cc(Cl)cc(-c2ccc(-c3nc(SCC4=NN=CC4)n[nH]3)o2)c1.FC(F)(F)c1cc(-c2ccc(-c3nc(SCC4=NN=CC4)n[nH]3)o2)cc2cccnc12.

What is the InChIKey of 5-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-(5-naphthalen-2-ylfuran-2-yl)-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-phenylphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-8-(trifluoromethyl)quinoline?

The InChIKey is SBGWCUWUJMBFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5OS.C20H13F3N6OS.C20H15N5OS.2C19H14N6OS.C16H11Cl2N5OS/c1-2-5-15(6-3-1)16-7-4-8-17(13-16)19-9-10-20(28-19)21-24-22(27-26-21)29-14-18-11-12-23-25-18;21-20(22,23)14-9-12(8-11-2-1-6-24-17(11)14)15-3-4-16(30-15)18-26-19(29-28-18)31-10-13-5-7-25-27-13;1-2-4-14-11-15(6-5-13(14)3-1)17-7-8-18(26-17)19-22-20(25-24-19)27-12-16-9-10-21-23-16;1-2-12-10-13(3-4-15(12)20-8-1)16-5-6-17(26-16)18-22-19(25-24-18)27-11-14-7-9-21-23-14;1-2-4-15-12(3-1)9-13(10-20-15)16-5-6-17(26-16)18-22-19(25-24-18)27-11-14-7-8-21-23-14;17-10-5-9(6-11(18)7-10)13-1-2-14(24-13)15-20-16(23-22-15)25-8-12-3-4-19-21-12/h1-10,12-13H,11,14H2,(H,24,26,27);1-4,6-9H,5,10H2,(H,26,28,29);1-8,10-11H,9,12H2,(H,22,24,25);2*1-6,8-10H,7,11H2,(H,22,24,25);1-2,4-7H,3,8H2,(H,20,22,23).

What are the key properties of 5-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-(5-naphthalen-2-ylfuran-2-yl)-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-phenylphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-8-(trifluoromethyl)quinoline?

5-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-(5-naphthalen-2-ylfuran-2-yl)-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-phenylphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-8-(trifluoromethyl)quinoline has a molecular weight of 2356.47 g/mol, XLogP of 28.72, 31 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(3,5-dichlorophenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-(5-naphthalen-2-ylfuran-2-yl)-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;5-[5-(3-phenylphenyl)furan-2-yl]-3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazole;3-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]quinoline;6-[5-[3-(4H-pyrazol-3-ylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 160786488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).