4-fluoranyl-N-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]benzenesulfonamide Openeye Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-4-fluoro-benzenesulfonamide CAS Name: 4-fluoro-N-[3-(phenylmethylthio)-1H-1,2,4-triazol-5-yl]benzenesulfonamide IUPAC Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-4-fluorobenzenesulfonamide Traditional Name: N-[3-(benzylthio)-1H-1,2,4-triazol-5-yl]-4-fluoro-benzenesulfonamide Formula: C15H13FN4O2S2 MolecularWeight: 364.417723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=N2)NS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=N2)NS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C15H13FN4O2S2/c16-12-6-8-13(9-7-12)24(21,22)20-14-17-15(19-18-14)23-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,18,19,20)