N-[5-(3,4-dihydro-2H-thiochromen-7-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Systemtic Name: N-[5-(3,4-dihydro-2H-thiochromen-7-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: N-[5-thiochroman-7-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide CAS Name: N-[5-(3,4-dihydro-2H-1-benzothiopyran-7-yl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: N-[5-(3,4-dihydro-2H-thiochromen-7-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: N-[5-thiochroman-7-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Formula: C19H16F3N3O2S2 MolecularWeight: 439.47445

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)C3=CC(=NN3NS(=O)(=O)C4=CC=CC=C4)C(F)(F)F)SC1

Isomeric SMILES

C1CC2=C(C=C(C=C2)C3=CC(=NN3NS(=O)(=O)C4=CC=CC=C4)C(F)(F)F)SC1

InChI

InChI=1S/C19H16F3N3O2S2/c20-19(21,22)18-12-16(14-9-8-13-5-4-10-28-17(13)11-14)25(23-18)24-29(26,27)15-6-2-1-3-7-15/h1-3,6-9,11-12,24H,4-5,10H2