5-cyclopropyl-2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione

Systemtic Name: 5-cyclopropyl-2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Openeye Name: 5-cyclopropyl-2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 5-cyclopropyl-2-[[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 5-cyclopropyl-2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 5-cyclopropyl-2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C17H23FN5O2S2+ MolecularWeight: 412.525223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)C4CC4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)C4CC4

InChI

InChI=1S/C17H22FN5O2S2/c1-20-16(13-5-6-13)19-23(17(20)26)12-21-7-9-22(10-8-21)27(24,25)15-4-2-3-14(18)11-15/h2-4,11,13H,5-10,12H2,1H3/p+1