1-[[5-[5-(3-chloro-4-ethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(1H-indol-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[(E)-2-(4-methoxyphenyl)ethenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-methoxy-3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

C115H99ClF6N18O17S6 — CID 158947734

About 1-[[5-[5-(3-chloro-4-ethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(1H-indol-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[(E)-2-(4-methoxyphenyl)ethenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-methoxy-3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

1-[[5-[5-(3-chloro-4-ethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(1H-indol-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[(E)-2-(4-methoxyphenyl)ethenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-methoxy-3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one (PubChem CID 158947734) has the molecular formula C115H99ClF6N18O17S6 and a molecular weight of 2347.01 g/mol. Its IUPAC name is 1-[[5-[5-(3-chloro-4-ethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(1H-indol-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[(E)-2-(4-methoxyphenyl)ethenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-methoxy-3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one.

Molecular Properties

• Compound Name: 1-[[5-[5-(3-chloro-4-ethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(1H-indol-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[(E)-2-(4-methoxyphenyl)ethenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-methoxy-3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
• PubChem CID: 158947734
• Molecular Formula: C115H99ClF6N18O17S6
• Molecular Weight: 2347.01 g/mol
• Exact Mass: 2344.54
• IUPAC Name: 1-[[5-[5-(3-chloro-4-ethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(1H-indol-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[(E)-2-(4-methoxyphenyl)ethenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-methoxy-3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
• SMILES: C=C(O)CSC1=NN=C(c2ccc(-c3c[nH]c4ccccc34)o2)C1.C=C(O)CSc1n[nH]c(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cccc(OCc4cccc(C(F)(F)F)c4)c3)o2)n1.CCOc1ccc(-c2ccc(-c3nc(SCC(C)=O)n[nH]3)o2)cc1Cl.COc1ccc(-c2ccc(-c3nc(SCC(C)=O)n[nH]3)o2)cc1OCc1ccccc1.COc1ccc(/C=C/c2ccc(-c3nc(SCC(C)=O)n[nH]3)o2)cc1
• InChI: InChI=1S/C23H18F3N3O3S.C23H21N3O4S.C18H17N3O3S.C18H15N3O2S.C17H16ClN3O3S.C16H12F3N3O2S/c1-14(30)13-33-22-27-21(28-29-22)20-9-8-19(32-20)16-5-3-7-18(11-16)31-12-15-4-2-6-17(10-15)23(24,25)26;1-15(27)14-31-23-24-22(25-26-23)20-11-10-18(30-20)17-8-9-19(28-2)21(12-17)29-13-16-6-4-3-5-7-16;1-12(22)11-25-18-19-17(20-21-18)16-10-9-15(24-16)8-5-13-3-6-14(23-2)7-4-13;1-11(22)10-24-18-8-15(20-21-18)17-7-6-16(23-17)13-9-19-14-5-3-2-4-12(13)14;1-3-23-14-5-4-11(8-12(14)18)13-6-7-15(24-13)16-19-17(21-20-16)25-9-10(2)22;1-9(23)8-25-15-20-14(21-22-15)13-6-5-12(24-13)10-3-2-4-11(7-10)16(17,18)19/h2-11H,12-13H2,1H3,(H,27,28,29);3-12H,13-14H2,1-2H3,(H,24,25,26);3-10H,11H2,1-2H3,(H,19,20,21);2-7,9,19,22H,1,8,10H2;4-8H,3,9H2,1-2H3,(H,19,20,21);2-7,23H,1,8H2,(H,20,21,22)/b;;8-5+
• InChIKey: JLAMBEKDWRWINO-SZTWBEMGSA-N
• XLogP: 29.05
• TPSA: 482.09 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 40
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2347.01
LogP ≤ 5	29.05
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

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-(3-chloro-4-ethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(1H-indol-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[(E)-2-(4-methoxyphenyl)ethenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-methoxy-3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one?

The IUPAC name of 1-[[5-[5-(3-chloro-4-ethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(1H-indol-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[(E)-2-(4-methoxyphenyl)ethenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-methoxy-3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one (CID 158947734) is 1-[[5-[5-(3-chloro-4-ethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(1H-indol-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[(E)-2-(4-methoxyphenyl)ethenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-methoxy-3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[[3-(trifluoromethyl)phenyl]methoxy]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-4-ethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(1H-indol-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[(E)-2-(4-methoxyphenyl)ethenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-methoxy-3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one?

The canonical SMILES for 1-[[5-[5-(3-chloro-4-ethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(1H-indol-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[(E)-2-(4-methoxyphenyl)ethenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-methoxy-3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one is C=C(O)CSC1=NN=C(c2ccc(-c3c[nH]c4ccccc34)o2)C1.C=C(O)CSc1n[nH]c(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cccc(OCc4cccc(C(F)(F)F)c4)c3)o2)n1.CCOc1ccc(-c2ccc(-c3nc(SCC(C)=O)n[nH]3)o2)cc1Cl.COc1ccc(-c2ccc(-c3nc(SCC(C)=O)n[nH]3)o2)cc1OCc1ccccc1.COc1ccc(/C=C/c2ccc(-c3nc(SCC(C)=O)n[nH]3)o2)cc1.

What is the InChIKey of 1-[[5-[5-(3-chloro-4-ethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(1H-indol-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[(E)-2-(4-methoxyphenyl)ethenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-methoxy-3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one?

The InChIKey is JLAMBEKDWRWINO-SZTWBEMGSA-N. The full InChI is InChI=1S/C23H18F3N3O3S.C23H21N3O4S.C18H17N3O3S.C18H15N3O2S.C17H16ClN3O3S.C16H12F3N3O2S/c1-14(30)13-33-22-27-21(28-29-22)20-9-8-19(32-20)16-5-3-7-18(11-16)31-12-15-4-2-6-17(10-15)23(24,25)26;1-15(27)14-31-23-24-22(25-26-23)20-11-10-18(30-20)17-8-9-19(28-2)21(12-17)29-13-16-6-4-3-5-7-16;1-12(22)11-25-18-19-17(20-21-18)16-10-9-15(24-16)8-5-13-3-6-14(23-2)7-4-13;1-11(22)10-24-18-8-15(20-21-18)17-7-6-16(23-17)13-9-19-14-5-3-2-4-12(13)14;1-3-23-14-5-4-11(8-12(14)18)13-6-7-15(24-13)16-19-17(21-20-16)25-9-10(2)22;1-9(23)8-25-15-20-14(21-22-15)13-6-5-12(24-13)10-3-2-4-11(7-10)16(17,18)19/h2-11H,12-13H2,1H3,(H,27,28,29);3-12H,13-14H2,1-2H3,(H,24,25,26);3-10H,11H2,1-2H3,(H,19,20,21);2-7,9,19,22H,1,8,10H2;4-8H,3,9H2,1-2H3,(H,19,20,21);2-7,23H,1,8H2,(H,20,21,22)/b;;8-5+;;;.

What are the key properties of 1-[[5-[5-(3-chloro-4-ethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(1H-indol-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[(E)-2-(4-methoxyphenyl)ethenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-methoxy-3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one?

1-[[5-[5-(3-chloro-4-ethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(1H-indol-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[(E)-2-(4-methoxyphenyl)ethenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-methoxy-3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one has a molecular weight of 2347.01 g/mol, XLogP of 29.05, 40 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-[5-(3-chloro-4-ethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(1H-indol-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[(E)-2-(4-methoxyphenyl)ethenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(4-methoxy-3-phenylmethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one is sourced from PubChem (CID 158947734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).