N-methyl-4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]aniline

Systemtic Name: N-methyl-4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]aniline Openeye Name: N-methyl-4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]aniline CAS Name: N-methyl-4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]aniline IUPAC Name: N-methyl-4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]aniline Traditional Name: [4-[2-(4-mesylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]-methyl-amine Formula: C17H15F3N4O2S MolecularWeight: 396.38681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15F3N4O2S/c1-21-12-5-3-11(4-6-12)15-22-16(17(18,19)20)23-24(15)13-7-9-14(10-8-13)27(2,25)26/h3-10,21H,1-2H3