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

Systemtic Name: N-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]-4-(trifluoromethyloxy)benzenesulfonamide Openeye Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-4-(trifluoromethoxy)benzenesulfonamide CAS Name: N-[3-(phenylmethylthio)-1H-1,2,4-triazol-5-yl]-4-(trifluoromethoxy)benzenesulfonamide IUPAC Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-4-(trifluoromethoxy)benzenesulfonamide Traditional Name: N-[3-(benzylthio)-1H-1,2,4-triazol-5-yl]-4-(trifluoromethoxy)benzenesulfonamide Formula: C16H13F3N4O3S2 MolecularWeight: 430.42463

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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)OC(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C16H13F3N4O3S2/c17-16(18,19)26-12-6-8-13(9-7-12)28(24,25)23-14-20-15(22-21-14)27-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,20,21,22,23)