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

Systemtic Name: 5-(4-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Openeye Name: 5-(4-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-chlorophenyl)-2-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-3-thione Traditional Name: 5-(4-chlorophenyl)-2-[[4-(2-pyrimidyl)piperazino]methyl]-1H-1,2,4-triazole-3-thione Formula: C17H18ClN7S MolecularWeight: 387.88972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN7S/c18-14-4-2-13(3-5-14)15-21-17(26)25(22-15)12-23-8-10-24(11-9-23)16-19-6-1-7-20-16/h1-7H,8-12H2,(H,21,22,26)