5-(4-chlorophenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-pyridin-3-yl-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-chlorophenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 5-(4-chlorophenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-chlorophenyl)-2-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-4-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-chlorophenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 5-(4-chlorophenyl)-2-[[4-(2-methoxyphenyl)piperazino]methyl]-4-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C25H25ClN6OS MolecularWeight: 493.0236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CN3C(=S)N(C(=N3)C4=CC=C(C=C4)Cl)C5=CN=CC=C5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CN3C(=S)N(C(=N3)C4=CC=C(C=C4)Cl)C5=CN=CC=C5

InChI

InChI=1S/C25H25ClN6OS/c1-33-23-7-3-2-6-22(23)30-15-13-29(14-16-30)18-31-25(34)32(21-5-4-12-27-17-21)24(28-31)19-8-10-20(26)11-9-19/h2-12,17H,13-16,18H2,1H3