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

Systemtic Name: 5-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-phenyl-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-phenyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-phenyl-2-[[4-(2-pyrimidyl)piperazino]methyl]-1H-1,2,4-triazole-3-thione Formula: C17H19N7S MolecularWeight: 353.44466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)N=C(N2)C3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CN2C(=S)N=C(N2)C3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C17H19N7S/c25-17-20-15(14-5-2-1-3-6-14)21-24(17)13-22-9-11-23(12-10-22)16-18-7-4-8-19-16/h1-8H,9-13H2,(H,20,21,25)