N-(4-fluorophenyl)-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide

Systemtic Name: N-(4-fluorophenyl)-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide Openeye Name: N-(4-fluorophenyl)-N-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide CAS Name: N-(4-fluorophenyl)-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide IUPAC Name: N-(4-fluorophenyl)-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide Traditional Name: N-(4-fluorophenyl)-N-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]methanesulfonamide Formula: C16H15FN4O2S2 MolecularWeight: 378.444303

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=NNC(=S)N1C2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)N(CC1=NNC(=S)N1C2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H15FN4O2S2/c1-25(22,23)20(13-9-7-12(17)8-10-13)11-15-18-19-16(24)21(15)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,19,24)