4-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]aniline

Systemtic Name: 4-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]aniline Openeye Name: 4-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]aniline CAS Name: 4-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]aniline IUPAC Name: 4-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]aniline Traditional Name: [4-[3-(4-mesylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]amine Formula: C17H14F3N3O2S MolecularWeight: 381.37217

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NNC(=C2C3=CC=C(C=C3)N)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NNC(=C2C3=CC=C(C=C3)N)C(F)(F)F

InChI

InChI=1S/C17H14F3N3O2S/c1-26(24,25)13-8-4-11(5-9-13)15-14(10-2-6-12(21)7-3-10)16(23-22-15)17(18,19)20/h2-9H,21H2,1H3,(H,22,23)