4-[5-(3,4-dihydro-2H-thiochromen-6-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 4-[5-(3,4-dihydro-2H-thiochromen-6-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[5-thiochroman-6-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[5-(3,4-dihydro-2H-1-benzothiopyran-6-yl)-3-(trifluoromethyl)-1-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[5-(3,4-dihydro-2H-thiochromen-6-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[5-thiochroman-6-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=CC(=C2)C3=CC(=NN3C4=CC=C(C=C4)S(=O)(=O)N)C(F)(F)F)SC1

Isomeric SMILES

C1CC2=C(C=CC(=C2)C3=CC(=NN3C4=CC=C(C=C4)S(=O)(=O)N)C(F)(F)F)SC1

InChI

InChI=1S/C19H16F3N3O2S2/c20-19(21,22)18-11-16(12-3-8-17-13(10-12)2-1-9-28-17)25(24-18)14-4-6-15(7-5-14)29(23,26)27/h3-8,10-11H,1-2,9H2,(H2,23,26,27)