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

Systemtic Name: 4-(3-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(3-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-(3-chlorophenyl)-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(3-chlorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(3-chlorophenyl)-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C17H19ClN7S+ MolecularWeight: 388.89766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)N(C=N2)C3=CC(=CC=C3)Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)N(C=N2)C3=CC(=CC=C3)Cl)C4=NC=CC=N4

InChI

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