N-[1-[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[1-[4-(4-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[1-[5-benzylsulfanyl-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-[1-[4-(4-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]ethyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[1-[5-benzylsulfanyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]ethyl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[1-[5-(benzylthio)-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]-3-(trifluoromethyl)benzenesulfonamide Formula: C25H23F3N4O2S2 MolecularWeight: 532.60093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)C(C)NS(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3)C(C)NS(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C25H23F3N4O2S2/c1-17-11-13-21(14-12-17)32-23(29-30-24(32)35-16-19-7-4-3-5-8-19)18(2)31-36(33,34)22-10-6-9-20(15-22)25(26,27)28/h3-15,18,31H,16H2,1-2H3