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

Systemtic Name: 5-(4-methoxyphenyl)-4-methyl-2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(4-methoxyphenyl)-4-methyl-2-[[4-(m-tolyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-4-methyl-2-[[4-(3-methylphenyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-4-methyl-2-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(4-methoxyphenyl)-4-methyl-2-[[4-(m-tolyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5OS/c1-17-5-4-6-19(15-17)26-13-11-25(12-14-26)16-27-22(29)24(2)21(23-27)18-7-9-20(28-3)10-8-18/h4-10,15H,11-14,16H2,1-3H3