4-[3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazol-1-yl]benzenesulfonamide

Systemtic Name: 4-[3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazol-1-yl]benzenesulfonamide Openeye Name: 4-[3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazol-1-yl]benzenesulfonamide CAS Name: 4-[3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazol-1-yl]benzenesulfonamide IUPAC Name: 4-[3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazol-1-yl]benzenesulfonamide Traditional Name: 4-[3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazol-1-yl]benzenesulfonamide Formula: C17H12F3N3O2S2 MolecularWeight: 411.42129

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C3=C(S1)C(=NN3C4=CC=C(C=C4)S(=O)(=O)N)C(F)(F)F

Isomeric SMILES

C1C2=CC=CC=C2C3=C(S1)C(=NN3C4=CC=C(C=C4)S(=O)(=O)N)C(F)(F)F

InChI

InChI=1S/C17H12F3N3O2S2/c18-17(19,20)16-15-14(13-4-2-1-3-10(13)9-26-15)23(22-16)11-5-7-12(8-6-11)27(21,24)25/h1-8H,9H2,(H2,21,24,25)