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

Systemtic Name: 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-(p-tolyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-methoxyphenyl)piperazino]methyl]-5-(p-tolyl)-1H-1,2,4-triazole-3-thione Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=S)N(N2)CN3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H25N5OS/c1-16-3-5-17(6-4-16)20-22-21(28)26(23-20)15-24-11-13-25(14-12-24)18-7-9-19(27-2)10-8-18/h3-10H,11-15H2,1-2H3,(H,22,23,28)