1-[[5-[5-(3-chloro-5-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,4-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,5-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[2-(6-methoxynaphthalen-2-yl)ethynyl]furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(9-methylcarbazol-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;4-[[3-[5-[3-(2-oxopropylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenoxy]methyl]benzonitrile

C114H90Cl5N19O15S6 — CID 160716569

About 1-[[5-[5-(3-chloro-5-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,4-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,5-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[2-(6-methoxynaphthalen-2-yl)ethynyl]furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(9-methylcarbazol-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;4-[[3-[5-[3-(2-oxopropylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenoxy]methyl]benzonitrile

1-[[5-[5-(3-chloro-5-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,4-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,5-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[2-(6-methoxynaphthalen-2-yl)ethynyl]furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(9-methylcarbazol-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;4-[[3-[5-[3-(2-oxopropylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenoxy]methyl]benzonitrile (PubChem CID 160716569) has the molecular formula C114H90Cl5N19O15S6 and a molecular weight of 2335.76 g/mol. Its IUPAC name is 1-[[5-[5-(3-chloro-5-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,4-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,5-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[2-(6-methoxynaphthalen-2-yl)ethynyl]furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(9-methylcarbazol-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;4-[[3-[5-[3-(2-oxopropylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenoxy]methyl]benzonitrile.

Molecular Properties

• Compound Name: 1-[[5-[5-(3-chloro-5-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,4-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,5-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[2-(6-methoxynaphthalen-2-yl)ethynyl]furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(9-methylcarbazol-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;4-[[3-[5-[3-(2-oxopropylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenoxy]methyl]benzonitrile
• PubChem CID: 160716569
• Molecular Formula: C114H90Cl5N19O15S6
• Molecular Weight: 2335.76 g/mol
• Exact Mass: 2331.36
• IUPAC Name: 1-[[5-[5-(3-chloro-5-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,4-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,5-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[2-(6-methoxynaphthalen-2-yl)ethynyl]furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(9-methylcarbazol-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;4-[[3-[5-[3-(2-oxopropylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenoxy]methyl]benzonitrile
• SMILES: C=C(O)CSC1=NN=C(c2ccc(C#Cc3ccc4cc(OC)ccc4c3)o2)C1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cc(Cl)cc(Cl)c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc4c5ccccc5n(C)c4c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cccc(OCc4ccc(C#N)cc4)c3)o2)n1.COc1cc(Cl)cc(-c2ccc(-c3nc(SCC(C)=O)n[nH]3)o2)c1
• InChI: InChI=1S/C23H18N4O3S.C23H18N2O3S.C22H18N4O2S.C16H14ClN3O3S.2C15H11Cl2N3O2S/c1-15(28)14-31-23-25-22(26-27-23)21-10-9-20(30-21)18-3-2-4-19(11-18)29-13-17-7-5-16(12-24)6-8-17;1-15(26)14-29-23-13-21(24-25-23)22-10-9-19(28-22)7-4-16-3-5-18-12-20(27-2)8-6-17(18)11-16;1-13(27)12-29-22-23-21(24-25-22)20-10-9-19(28-20)14-7-8-16-15-5-3-4-6-17(15)26(2)18(16)11-14;1-9(21)8-24-16-18-15(19-20-16)14-4-3-13(23-14)10-5-11(17)7-12(6-10)22-2;1-8(21)7-23-15-18-14(19-20-15)13-3-2-12(22-13)9-4-10(16)6-11(17)5-9;1-8(21)7-23-15-18-14(19-20-15)13-5-4-12(22-13)9-2-3-10(16)11(17)6-9/h2-11H,13-14H2,1H3,(H,25,26,27);3,5-6,8-12,26H,1,13-14H2,2H3;3-11H,12H2,1-2H3,(H,23,24,25);3-7H,8H2,1-2H3,(H,18,19,20);2*2-6H,7H2,1H3,(H,18,19,20)
• InChIKey: RSNWDTXSFSTUGV-UHFFFAOYSA-N
• XLogP: 28.59
• TPSA: 473.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 33
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2335.76
LogP ≤ 5	28.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[5-(3-chloro-5-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,4-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,5-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[2-(6-methoxynaphthalen-2-yl)ethynyl]furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(9-methylcarbazol-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;4-[[3-[5-[3-(2-oxopropylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenoxy]methyl]benzonitrile?

The IUPAC name of 1-[[5-[5-(3-chloro-5-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,4-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,5-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[2-(6-methoxynaphthalen-2-yl)ethynyl]furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(9-methylcarbazol-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;4-[[3-[5-[3-(2-oxopropylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenoxy]methyl]benzonitrile (CID 160716569) is 1-[[5-[5-(3-chloro-5-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,4-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,5-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[2-(6-methoxynaphthalen-2-yl)ethynyl]furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(9-methylcarbazol-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;4-[[3-[5-[3-(2-oxopropylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenoxy]methyl]benzonitrile.

What is the SMILES notation for 1-[[5-[5-(3-chloro-5-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,4-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,5-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[2-(6-methoxynaphthalen-2-yl)ethynyl]furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(9-methylcarbazol-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;4-[[3-[5-[3-(2-oxopropylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenoxy]methyl]benzonitrile?

The canonical SMILES for 1-[[5-[5-(3-chloro-5-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,4-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,5-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[2-(6-methoxynaphthalen-2-yl)ethynyl]furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(9-methylcarbazol-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;4-[[3-[5-[3-(2-oxopropylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenoxy]methyl]benzonitrile is C=C(O)CSC1=NN=C(c2ccc(C#Cc3ccc4cc(OC)ccc4c3)o2)C1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cc(Cl)cc(Cl)c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc4c5ccccc5n(C)c4c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cccc(OCc4ccc(C#N)cc4)c3)o2)n1.COc1cc(Cl)cc(-c2ccc(-c3nc(SCC(C)=O)n[nH]3)o2)c1.

What is the InChIKey of 1-[[5-[5-(3-chloro-5-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,4-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,5-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[2-(6-methoxynaphthalen-2-yl)ethynyl]furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(9-methylcarbazol-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;4-[[3-[5-[3-(2-oxopropylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenoxy]methyl]benzonitrile?

The InChIKey is RSNWDTXSFSTUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3S.C23H18N2O3S.C22H18N4O2S.C16H14ClN3O3S.2C15H11Cl2N3O2S/c1-15(28)14-31-23-25-22(26-27-23)21-10-9-20(30-21)18-3-2-4-19(11-18)29-13-17-7-5-16(12-24)6-8-17;1-15(26)14-29-23-13-21(24-25-23)22-10-9-19(28-22)7-4-16-3-5-18-12-20(27-2)8-6-17(18)11-16;1-13(27)12-29-22-23-21(24-25-22)20-10-9-19(28-20)14-7-8-16-15-5-3-4-6-17(15)26(2)18(16)11-14;1-9(21)8-24-16-18-15(19-20-16)14-4-3-13(23-14)10-5-11(17)7-12(6-10)22-2;1-8(21)7-23-15-18-14(19-20-15)13-3-2-12(22-13)9-4-10(16)6-11(17)5-9;1-8(21)7-23-15-18-14(19-20-15)13-5-4-12(22-13)9-2-3-10(16)11(17)6-9/h2-11H,13-14H2,1H3,(H,25,26,27);3,5-6,8-12,26H,1,13-14H2,2H3;3-11H,12H2,1-2H3,(H,23,24,25);3-7H,8H2,1-2H3,(H,18,19,20);2*2-6H,7H2,1H3,(H,18,19,20).

What are the key properties of 1-[[5-[5-(3-chloro-5-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,4-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,5-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[2-(6-methoxynaphthalen-2-yl)ethynyl]furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(9-methylcarbazol-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;4-[[3-[5-[3-(2-oxopropylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenoxy]methyl]benzonitrile?

1-[[5-[5-(3-chloro-5-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,4-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,5-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[2-(6-methoxynaphthalen-2-yl)ethynyl]furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(9-methylcarbazol-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;4-[[3-[5-[3-(2-oxopropylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenoxy]methyl]benzonitrile has a molecular weight of 2335.76 g/mol, XLogP of 28.59, 33 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-[5-(3-chloro-5-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,4-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3,5-dichlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[2-(6-methoxynaphthalen-2-yl)ethynyl]furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(9-methylcarbazol-2-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;4-[[3-[5-[3-(2-oxopropylsulfanyl)-1H-1,2,4-triazol-5-yl]furan-2-yl]phenoxy]methyl]benzonitrile is sourced from PubChem (CID 160716569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).