ethyl 1-[3-[(2-methylsulfanylpyridin-3-yl)carbonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[3-[(2-methylsulfanylpyridin-3-yl)carbonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[3-[[[2-(methylthio)-3-pyridinyl]-oxomethyl]amino]phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[3-[[2-(methylthio)nicotinoyl]amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C20H17F3N4O3S MolecularWeight: 450.43419

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)C3=C(N=CC=C3)SC)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)C3=C(N=CC=C3)SC)C(F)(F)F

InChI

InChI=1S/C20H17F3N4O3S/c1-3-30-19(29)15-11-25-27(16(15)20(21,22)23)13-7-4-6-12(10-13)26-17(28)14-8-5-9-24-18(14)31-2/h4-11H,3H2,1-2H3,(H,26,28)