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

Systemtic Name: N-methyl-4-[2-(5-methylsulfonylpyridin-2-yl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]aniline Openeye Name: N-methyl-4-[2-(5-methylsulfonyl-2-pyridyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]aniline CAS Name: N-methyl-4-[2-(5-methylsulfonyl-2-pyridinyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]aniline IUPAC Name: N-methyl-4-[2-(5-methylsulfonylpyridin-2-yl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]aniline Traditional Name: [4-[2-(5-mesyl-2-pyridyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]-methyl-amine Formula: C16H14F3N5O2S MolecularWeight: 397.37487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14F3N5O2S/c1-20-11-5-3-10(4-6-11)14-22-15(16(17,18)19)23-24(14)13-8-7-12(9-21-13)27(2,25)26/h3-9,20H,1-2H3