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

Systemtic Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-2-[[4-(3-fluorophenyl)sulfonylpiperazino]methyl]-5-methyl-1,2,4-triazole-3-thione Formula: C17H22FN5O2S2 MolecularWeight: 411.517283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC=C)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CC1=NN(C(=S)N1CC=C)CN2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

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