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

Systemtic Name: 4-methyl-5-pyridin-4-yl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-methyl-5-(4-pyridyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-methyl-5-pyridin-4-yl-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-5-pyridin-4-yl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-methyl-5-(4-pyridyl)-2-[[4-(2-pyrimidyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C17H20N8S MolecularWeight: 368.4593

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN2CCN(CC2)C3=NC=CC=N3)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN(C1=S)CN2CCN(CC2)C3=NC=CC=N3)C4=CC=NC=C4

InChI

InChI=1S/C17H20N8S/c1-22-15(14-3-7-18-8-4-14)21-25(17(22)26)13-23-9-11-24(12-10-23)16-19-5-2-6-20-16/h2-8H,9-13H2,1H3