N-methyl-4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]aniline

Systemtic Name: N-methyl-4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]aniline Openeye Name: N-methyl-4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]aniline CAS Name: N-methyl-4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-3-pyrazolyl]aniline IUPAC Name: N-methyl-4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]aniline Traditional Name: [4-[2-(4-mesylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-methyl-amine Formula: C18H16F3N3O2S MolecularWeight: 395.39875

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CNC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C18H16F3N3O2S/c1-22-13-5-3-12(4-6-13)16-11-17(18(19,20)21)23-24(16)14-7-9-15(10-8-14)27(2,25)26/h3-11,22H,1-2H3