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

Systemtic Name: 4-ethyl-5-(2-methylphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-5-(o-tolyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-ethyl-5-(2-methylphenyl)-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-5-(2-methylphenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-5-(o-tolyl)-2-[[4-(2-pyrimidyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C20H25N7S MolecularWeight: 395.5244

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCN(CC2)C3=NC=CC=N3)C4=CC=CC=C4C

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCN(CC2)C3=NC=CC=N3)C4=CC=CC=C4C

InChI

InChI=1S/C20H25N7S/c1-3-26-18(17-8-5-4-7-16(17)2)23-27(20(26)28)15-24-11-13-25(14-12-24)19-21-9-6-10-22-19/h4-10H,3,11-15H2,1-2H3