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

Systemtic Name: 2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C16H21FN5O2S2+ MolecularWeight: 398.498643

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

C=CCN1C=NN(C1=S)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C16H20FN5O2S2/c1-2-7-20-12-18-22(16(20)25)13-19-8-10-21(11-9-19)26(23,24)15-6-4-3-5-14(15)17/h2-6,12H,1,7-11,13H2/p+1