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

Systemtic Name: 5-methyl-4-(3-methylphenyl)-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-methyl-4-(m-tolyl)-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-methyl-4-(3-methylphenyl)-2-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-4-(3-methylphenyl)-2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-methyl-4-(m-tolyl)-2-[[4-(4-nitrophenyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C21H24N6O2S MolecularWeight: 424.51926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN(C2=S)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN(C2=S)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H24N6O2S/c1-16-4-3-5-20(14-16)26-17(2)22-25(21(26)30)15-23-10-12-24(13-11-23)18-6-8-19(9-7-18)27(28)29/h3-9,14H,10-13,15H2,1-2H3