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

Systemtic Name: 4-(2-fluorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(2-fluorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 4-(2-fluorophenyl)-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(2-fluorophenyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(2-fluorophenyl)-2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C17H19FN7S+ MolecularWeight: 372.443063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)N(C=N2)C3=CC=CC=C3F)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)N(C=N2)C3=CC=CC=C3F)C4=NC=CC=N4

InChI

InChI=1S/C17H18FN7S/c18-14-4-1-2-5-15(14)24-12-21-25(17(24)26)13-22-8-10-23(11-9-22)16-19-6-3-7-20-16/h1-7,12H,8-11,13H2/p+1