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

Systemtic Name: 4-cyclopropyl-2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[4-(2,3-dimethylphenyl)piperazino]methyl]-5-(3-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=CN=CC=C4)C5CC5)C

Isomeric SMILES

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

InChI

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