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

Systemtic Name: 5-(4-chlorophenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-(2-methylphenyl)-1,2,4-triazole-3-thione Openeye Name: 5-(4-chlorophenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-(o-tolyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-chlorophenyl)-2-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-4-(2-methylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-chlorophenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-(2-methylphenyl)-1,2,4-triazole-3-thione Traditional Name: 5-(4-chlorophenyl)-2-[[4-(2-methoxyphenyl)piperazino]methyl]-4-(o-tolyl)-1,2,4-triazole-3-thione Formula: C27H28ClN5OS MolecularWeight: 506.06212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN(C2=S)CN3CCN(CC3)C4=CC=CC=C4OC)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN(C2=S)CN3CCN(CC3)C4=CC=CC=C4OC)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H28ClN5OS/c1-20-7-3-4-8-23(20)33-26(21-11-13-22(28)14-12-21)29-32(27(33)35)19-30-15-17-31(18-16-30)24-9-5-6-10-25(24)34-2/h3-14H,15-19H2,1-2H3