2-[[5-[5-[3-[(3-cyanophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;3-[[5-[5-(9H-fluoren-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[(3-nitrophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;2-[[5-[5-(2-phenyl-1H-indol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;1-[[5-[5-(2-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

C135H104N22O18S6 — CID 159152295

About 2-[[5-[5-[3-[(3-cyanophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;3-[[5-[5-(9H-fluoren-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[(3-nitrophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;2-[[5-[5-(2-phenyl-1H-indol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;1-[[5-[5-(2-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

2-[[5-[5-[3-[(3-cyanophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;3-[[5-[5-(9H-fluoren-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[(3-nitrophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;2-[[5-[5-(2-phenyl-1H-indol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;1-[[5-[5-(2-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one (PubChem CID 159152295) has the molecular formula C135H104N22O18S6 and a molecular weight of 2514.85 g/mol. Its IUPAC name is 2-[[5-[5-[3-[(3-cyanophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;3-[[5-[5-(9H-fluoren-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[(3-nitrophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;2-[[5-[5-(2-phenyl-1H-indol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;1-[[5-[5-(2-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one.

Molecular Properties

• Compound Name: 2-[[5-[5-[3-[(3-cyanophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;3-[[5-[5-(9H-fluoren-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[(3-nitrophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;2-[[5-[5-(2-phenyl-1H-indol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;1-[[5-[5-(2-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
• PubChem CID: 159152295
• Molecular Formula: C135H104N22O18S6
• Molecular Weight: 2514.85 g/mol
• Exact Mass: 2512.62
• IUPAC Name: 2-[[5-[5-[3-[(3-cyanophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;3-[[5-[5-(9H-fluoren-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[(3-nitrophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;2-[[5-[5-(2-phenyl-1H-indol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;1-[[5-[5-(2-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
• SMILES: C=C(O)CSC1=NN=C(c2ccc(-c3ccc4c(c3)-c3ccccc3C4)o2)C1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc4[nH]c(-c5ccccc5)cc4c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc4[nH]cc(-c5ccccc5)c4c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cccc(OCc4cccc([N+](=O)[O-])c4)c3)o2)n1.N#Cc1cccc(COc2cccc(-c3ccc(-c4nc(SCC(=O)O)n[nH]4)o3)c2)c1.O=C(O)CSc1n[nH]c(-c2ccc(-c3cccc4[nH]c(-c5ccccc5)cc34)o2)n1
• InChI: InChI=1S/2C23H18N4O2S.C23H18N2O2S.C22H18N4O5S.C22H16N4O4S.C22H16N4O3S/c1-14(28)13-30-23-25-22(26-27-23)21-10-9-20(29-21)16-7-8-19-17(11-16)18(12-24-19)15-5-3-2-4-6-15;1-14(28)13-30-23-25-22(26-27-23)21-10-9-20(29-21)16-7-8-18-17(11-16)12-19(24-18)15-5-3-2-4-6-15;1-14(26)13-28-23-12-20(24-25-23)22-9-8-21(27-22)17-7-6-16-10-15-4-2-3-5-18(15)19(16)11-17;1-14(27)13-32-22-23-21(24-25-22)20-9-8-19(31-20)16-5-3-7-18(11-16)30-12-15-4-2-6-17(10-15)26(28)29;23-11-14-3-1-4-15(9-14)12-29-17-6-2-5-16(10-17)18-7-8-19(30-18)21-24-22(26-25-21)31-13-20(27)28;27-20(28)12-30-22-24-21(25-26-22)19-10-9-18(29-19)14-7-4-8-16-15(14)11-17(23-16)13-5-2-1-3-6-13/h2*2-12,24H,13H2,1H3,(H,25,26,27);2-9,11,26H,1,10,12-13H2;2-11H,12-13H2,1H3,(H,23,24,25);1-10H,12-13H2,(H,27,28)(H,24,25,26);1-11,23H,12H2,(H,27,28)(H,24,25,26)
• InChIKey: KJLKOSDCBPXJDO-UHFFFAOYSA-N
• XLogP: 31.27
• TPSA: 590.21 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 35
• Rotatable Bonds: 39
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2514.85
LogP ≤ 5	31.27
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 2-[[5-[5-[3-[(3-cyanophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;3-[[5-[5-(9H-fluoren-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[(3-nitrophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;2-[[5-[5-(2-phenyl-1H-indol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;1-[[5-[5-(2-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one?

The IUPAC name of 2-[[5-[5-[3-[(3-cyanophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;3-[[5-[5-(9H-fluoren-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[(3-nitrophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;2-[[5-[5-(2-phenyl-1H-indol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;1-[[5-[5-(2-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one (CID 159152295) is 2-[[5-[5-[3-[(3-cyanophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;3-[[5-[5-(9H-fluoren-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[(3-nitrophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;2-[[5-[5-(2-phenyl-1H-indol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;1-[[5-[5-(2-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one.

What is the SMILES notation for 2-[[5-[5-[3-[(3-cyanophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;3-[[5-[5-(9H-fluoren-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[(3-nitrophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;2-[[5-[5-(2-phenyl-1H-indol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;1-[[5-[5-(2-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one?

The canonical SMILES for 2-[[5-[5-[3-[(3-cyanophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;3-[[5-[5-(9H-fluoren-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[(3-nitrophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;2-[[5-[5-(2-phenyl-1H-indol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;1-[[5-[5-(2-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one is C=C(O)CSC1=NN=C(c2ccc(-c3ccc4c(c3)-c3ccccc3C4)o2)C1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc4[nH]c(-c5ccccc5)cc4c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc4[nH]cc(-c5ccccc5)c4c3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cccc(OCc4cccc([N+](=O)[O-])c4)c3)o2)n1.N#Cc1cccc(COc2cccc(-c3ccc(-c4nc(SCC(=O)O)n[nH]4)o3)c2)c1.O=C(O)CSc1n[nH]c(-c2ccc(-c3cccc4[nH]c(-c5ccccc5)cc34)o2)n1.

What is the InChIKey of 2-[[5-[5-[3-[(3-cyanophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;3-[[5-[5-(9H-fluoren-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[(3-nitrophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;2-[[5-[5-(2-phenyl-1H-indol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;1-[[5-[5-(2-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one?

The InChIKey is KJLKOSDCBPXJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H18N4O2S.C23H18N2O2S.C22H18N4O5S.C22H16N4O4S.C22H16N4O3S/c1-14(28)13-30-23-25-22(26-27-23)21-10-9-20(29-21)16-7-8-19-17(11-16)18(12-24-19)15-5-3-2-4-6-15;1-14(28)13-30-23-25-22(26-27-23)21-10-9-20(29-21)16-7-8-18-17(11-16)12-19(24-18)15-5-3-2-4-6-15;1-14(26)13-28-23-12-20(24-25-23)22-9-8-21(27-22)17-7-6-16-10-15-4-2-3-5-18(15)19(16)11-17;1-14(27)13-32-22-23-21(24-25-22)20-9-8-19(31-20)16-5-3-7-18(11-16)30-12-15-4-2-6-17(10-15)26(28)29;23-11-14-3-1-4-15(9-14)12-29-17-6-2-5-16(10-17)18-7-8-19(30-18)21-24-22(26-25-21)31-13-20(27)28;27-20(28)12-30-22-24-21(25-26-22)19-10-9-18(29-19)14-7-4-8-16-15(14)11-17(23-16)13-5-2-1-3-6-13/h2*2-12,24H,13H2,1H3,(H,25,26,27);2-9,11,26H,1,10,12-13H2;2-11H,12-13H2,1H3,(H,23,24,25);1-10H,12-13H2,(H,27,28)(H,24,25,26);1-11,23H,12H2,(H,27,28)(H,24,25,26).

What are the key properties of 2-[[5-[5-[3-[(3-cyanophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;3-[[5-[5-(9H-fluoren-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[(3-nitrophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;2-[[5-[5-(2-phenyl-1H-indol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;1-[[5-[5-(2-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one?

2-[[5-[5-[3-[(3-cyanophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;3-[[5-[5-(9H-fluoren-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[(3-nitrophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;2-[[5-[5-(2-phenyl-1H-indol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;1-[[5-[5-(2-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one has a molecular weight of 2514.85 g/mol, XLogP of 31.27, 39 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[5-[3-[(3-cyanophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;3-[[5-[5-(9H-fluoren-3-yl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-[3-[(3-nitrophenyl)methoxy]phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;2-[[5-[5-(2-phenyl-1H-indol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid;1-[[5-[5-(2-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(3-phenyl-1H-indol-5-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one is sourced from PubChem (CID 159152295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).