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

Systemtic Name: 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[4-(4-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)N1CC=C)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=S)N1CC=C)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H22FN5O2S2/c1-3-8-22-14(2)19-23(17(22)26)13-20-9-11-21(12-10-20)27(24,25)16-6-4-15(18)5-7-16/h3-7H,1,8-13H2,2H3/p+1