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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C2CC2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

CC1=NN(C(=S)N1C2CC2)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

InChI

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