4-methyl-5-(2-methylphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-methyl-5-(2-methylphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-methyl-5-(o-tolyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-methyl-5-(2-methylphenyl)-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-5-(2-methylphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-methyl-5-(o-tolyl)-2-[[4-(2-pyrimidyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C19H23N7S MolecularWeight: 381.49782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C(=S)N2C)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C(=S)N2C)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H23N7S/c1-15-6-3-4-7-16(15)17-22-26(19(27)23(17)2)14-24-10-12-25(13-11-24)18-20-8-5-9-21-18/h3-9H,10-14H2,1-2H3