4-[1-(cyanomethyl)-4-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide

Systemtic Name: 4-[1-(cyanomethyl)-4-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide Openeye Name: 4-[1-(cyanomethyl)-4-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide CAS Name: 4-[1-(cyanomethyl)-4-[4-(methylthio)phenyl]-5-(trifluoromethyl)-3-pyrazolyl]benzenesulfonamide IUPAC Name: 4-[1-(cyanomethyl)-4-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide Traditional Name: 4-[1-(cyanomethyl)-4-[4-(methylthio)phenyl]-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide Formula: C19H15F3N4O2S2 MolecularWeight: 452.47321

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CC#N)C(F)(F)F

Isomeric SMILES

CSC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CC#N)C(F)(F)F

InChI

InChI=1S/C19H15F3N4O2S2/c1-29-14-6-2-12(3-7-14)16-17(13-4-8-15(9-5-13)30(24,27)28)25-26(11-10-23)18(16)19(20,21)22/h2-9H,11H2,1H3,(H2,24,27,28)