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

Systemtic Name: 4-methyl-5-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-methyl-5-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-methyl-5-phenyl-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-5-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-methyl-5-phenyl-2-[[4-(2-pyrimidyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C18H21N7S MolecularWeight: 367.47124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N7S/c1-22-16(15-6-3-2-4-7-15)21-25(18(22)26)14-23-10-12-24(13-11-23)17-19-8-5-9-20-17/h2-9H,10-14H2,1H3