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

Systemtic Name: 4-(4-methylphenyl)-5-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-phenyl-4-(p-tolyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-(4-methylphenyl)-5-phenyl-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(4-methylphenyl)-5-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-phenyl-4-(p-tolyl)-2-[[4-(2-pyrimidyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C24H25N7S MolecularWeight: 443.5672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN(C2=S)CN3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN(C2=S)CN3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C24H25N7S/c1-19-8-10-21(11-9-19)31-22(20-6-3-2-4-7-20)27-30(24(31)32)18-28-14-16-29(17-15-28)23-25-12-5-13-26-23/h2-13H,14-18H2,1H3