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

Systemtic Name: 5-methyl-4-(2-methylphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-methyl-4-(o-tolyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-methyl-4-(2-methylphenyl)-2-[(4-phenyl-1-piperazinyl)methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-4-(2-methylphenyl)-2-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-methyl-4-(o-tolyl)-2-[(4-phenylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C21H25N5S MolecularWeight: 379.5217

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN(C2=S)CN3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN(C2=S)CN3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H25N5S/c1-17-8-6-7-11-20(17)26-18(2)22-25(21(26)27)16-23-12-14-24(15-13-23)19-9-4-3-5-10-19/h3-11H,12-16H2,1-2H3