4-(4-fluorophenyl)-5-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-fluorophenyl)-5-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-fluorophenyl)-5-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(4-fluorophenyl)-5-[(4-methyl-1-piperazin-4-iumyl)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-fluorophenyl)-5-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-fluorophenyl)-5-[(4-methylpiperazin-4-ium-1-yl)methyl]-1,2,4-triazole-3-thiolate Formula: C14H18FN5S MolecularWeight: 307.389623

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=NN=C(N2C3=CC=C(C=C3)F)[S-]

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=NN=C(N2C3=CC=C(C=C3)F)[S-]

InChI

InChI=1S/C14H18FN5S/c1-18-6-8-19(9-7-18)10-13-16-17-14(21)20(13)12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3,(H,17,21)