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

Systemtic Name: 4-cyclopropyl-2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[4-(2,3-dimethylphenyl)piperazino]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C23H28N6S MolecularWeight: 420.57362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)CN3C(=S)N(C(=N3)C4=CC=NC=C4)C5CC5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)CN3C(=S)N(C(=N3)C4=CC=NC=C4)C5CC5)C

InChI

InChI=1S/C23H28N6S/c1-17-4-3-5-21(18(17)2)27-14-12-26(13-15-27)16-28-23(30)29(20-6-7-20)22(25-28)19-8-10-24-11-9-19/h3-5,8-11,20H,6-7,12-16H2,1-2H3