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

Systemtic Name: 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-phenyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(3-chlorophenyl)piperazino]methyl]-4-phenyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C24H23ClN6S MolecularWeight: 462.99762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C24H23ClN6S/c25-20-5-4-8-22(17-20)29-15-13-28(14-16-29)18-30-24(32)31(21-6-2-1-3-7-21)23(27-30)19-9-11-26-12-10-19/h1-12,17H,13-16,18H2