1-[[5-[5-(3-chloro-5-phenylmethoxyphenyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3-chlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-naphthalen-2-ylethynyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-phenyl-1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-(trifluoromethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

C127H101Cl2F3N18O16S6 — CID 158783190

About 1-[[5-[5-(3-chloro-5-phenylmethoxyphenyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3-chlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-naphthalen-2-ylethynyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-phenyl-1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-(trifluoromethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

1-[[5-[5-(3-chloro-5-phenylmethoxyphenyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3-chlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-naphthalen-2-ylethynyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-phenyl-1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-(trifluoromethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one (PubChem CID 158783190) has the molecular formula C127H101Cl2F3N18O16S6 and a molecular weight of 2455.62 g/mol. Its IUPAC name is 1-[[5-[5-(3-chloro-5-phenylmethoxyphenyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3-chlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-naphthalen-2-ylethynyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-phenyl-1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-(trifluoromethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one.

Molecular Properties

• Compound Name: 1-[[5-[5-(3-chloro-5-phenylmethoxyphenyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3-chlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-naphthalen-2-ylethynyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-phenyl-1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-(trifluoromethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
• PubChem CID: 158783190
• Molecular Formula: C127H101Cl2F3N18O16S6
• Molecular Weight: 2455.62 g/mol
• Exact Mass: 2452.53
• IUPAC Name: 1-[[5-[5-(3-chloro-5-phenylmethoxyphenyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3-chlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-naphthalen-2-ylethynyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-phenyl-1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-(trifluoromethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
• SMILES: CC(=O)CSC1=NN=C(c2ccc(-c3cc(Cl)cc(OCc4ccccc4)c3)o2)C1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc4cc(-c5ccccc5)[nH]c4c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cccc(OC(F)(F)F)c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cccc(OCc4cccc(Cl)c4)c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cccc(OCc4ccccc4)c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(C#Cc3ccc4ccccc4c3)o2)n1
• InChI: InChI=1S/C23H19ClN2O3S.C23H18N4O2S.C22H18ClN3O3S.C22H19N3O3S.C21H15N3O2S.C16H12F3N3O3S/c1-15(27)14-30-23-12-20(25-26-23)22-8-7-21(29-22)17-9-18(24)11-19(10-17)28-13-16-5-3-2-4-6-16;1-14(28)13-30-23-25-22(26-27-23)21-10-9-20(29-21)17-8-7-16-11-18(24-19(16)12-17)15-5-3-2-4-6-15;1-14(27)13-30-22-24-21(25-26-22)20-9-8-19(29-20)16-5-3-7-18(11-16)28-12-15-4-2-6-17(23)10-15;1-15(26)14-29-22-23-21(24-25-22)20-11-10-19(28-20)17-8-5-9-18(12-17)27-13-16-6-3-2-4-7-16;1-14(25)13-27-21-22-20(23-24-21)19-11-10-18(26-19)9-7-15-6-8-16-4-2-3-5-17(16)12-15;1-9(23)8-26-15-20-14(21-22-15)13-6-5-12(24-13)10-3-2-4-11(7-10)25-16(17,18)19/h2-11H,12-14H2,1H3;2-12,24H,13H2,1H3,(H,25,26,27);2-11H,12-13H2,1H3,(H,24,25,26);2-12H,13-14H2,1H3,(H,23,24,25);2-6,8,10-12H,13H2,1H3,(H,22,23,24);2-7H,8H2,1H3,(H,20,21,22)
• InChIKey: IRINXLWNKVNOLO-UHFFFAOYSA-N
• XLogP: 30.82
• TPSA: 466.54 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 39
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2455.62
LogP ≤ 5	30.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[5-(3-chloro-5-phenylmethoxyphenyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3-chlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-naphthalen-2-ylethynyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-phenyl-1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-(trifluoromethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one?

The IUPAC name of 1-[[5-[5-(3-chloro-5-phenylmethoxyphenyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3-chlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-naphthalen-2-ylethynyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-phenyl-1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-(trifluoromethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one (CID 158783190) is 1-[[5-[5-(3-chloro-5-phenylmethoxyphenyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3-chlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-naphthalen-2-ylethynyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-phenyl-1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-(trifluoromethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one.

What is the SMILES notation for 1-[[5-[5-(3-chloro-5-phenylmethoxyphenyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3-chlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-naphthalen-2-ylethynyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-phenyl-1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-(trifluoromethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one?

The canonical SMILES for 1-[[5-[5-(3-chloro-5-phenylmethoxyphenyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3-chlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-naphthalen-2-ylethynyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-phenyl-1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-(trifluoromethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one is CC(=O)CSC1=NN=C(c2ccc(-c3cc(Cl)cc(OCc4ccccc4)c3)o2)C1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc4cc(-c5ccccc5)[nH]c4c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cccc(OC(F)(F)F)c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cccc(OCc4cccc(Cl)c4)c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cccc(OCc4ccccc4)c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(C#Cc3ccc4ccccc4c3)o2)n1.

What is the InChIKey of 1-[[5-[5-(3-chloro-5-phenylmethoxyphenyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3-chlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-naphthalen-2-ylethynyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-phenyl-1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-(trifluoromethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one?

The InChIKey is IRINXLWNKVNOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3S.C23H18N4O2S.C22H18ClN3O3S.C22H19N3O3S.C21H15N3O2S.C16H12F3N3O3S/c1-15(27)14-30-23-12-20(25-26-23)22-8-7-21(29-22)17-9-18(24)11-19(10-17)28-13-16-5-3-2-4-6-16;1-14(28)13-30-23-25-22(26-27-23)21-10-9-20(29-21)17-8-7-16-11-18(24-19(16)12-17)15-5-3-2-4-6-15;1-14(27)13-30-22-24-21(25-26-22)20-9-8-19(29-20)16-5-3-7-18(11-16)28-12-15-4-2-6-17(23)10-15;1-15(26)14-29-22-23-21(24-25-22)20-11-10-19(28-20)17-8-5-9-18(12-17)27-13-16-6-3-2-4-7-16;1-14(25)13-27-21-22-20(23-24-21)19-11-10-18(26-19)9-7-15-6-8-16-4-2-3-5-17(16)12-15;1-9(23)8-26-15-20-14(21-22-15)13-6-5-12(24-13)10-3-2-4-11(7-10)25-16(17,18)19/h2-11H,12-14H2,1H3;2-12,24H,13H2,1H3,(H,25,26,27);2-11H,12-13H2,1H3,(H,24,25,26);2-12H,13-14H2,1H3,(H,23,24,25);2-6,8,10-12H,13H2,1H3,(H,22,23,24);2-7H,8H2,1H3,(H,20,21,22).

What are the key properties of 1-[[5-[5-(3-chloro-5-phenylmethoxyphenyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3-chlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-naphthalen-2-ylethynyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-phenyl-1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-(trifluoromethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one?

1-[[5-[5-(3-chloro-5-phenylmethoxyphenyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3-chlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-naphthalen-2-ylethynyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-phenyl-1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-(trifluoromethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one has a molecular weight of 2455.62 g/mol, XLogP of 30.82, 39 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-[5-(3-chloro-5-phenylmethoxyphenyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-[(3-chlorophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-naphthalen-2-ylethynyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(2-phenyl-1H-indol-6-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-[3-(trifluoromethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one is sourced from PubChem (CID 158783190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).