ethyl 3-cyano-6-methyl-2-[2-[[4-(trifluoromethyloxy)phenyl]carbamoylamino]phenyl]sulfanyl-pyridine-4-carboxylate

Systemtic Name: ethyl 3-cyano-6-methyl-2-[2-[[4-(trifluoromethyloxy)phenyl]carbamoylamino]phenyl]sulfanyl-pyridine-4-carboxylate Openeye Name: ethyl 3-cyano-6-methyl-2-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]sulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-methyl-2-[[2-[[oxo-[4-(trifluoromethoxy)anilino]methyl]amino]phenyl]thio]-4-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-6-methyl-2-[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]sulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-methyl-2-[[2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]thio]isonicotinic acid ethyl ester Formula: C24H19F3N4O4S MolecularWeight: 516.49227

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC(=C1C#N)SC2=CC=CC=C2NC(=O)NC3=CC=C(C=C3)OC(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=CC(=NC(=C1C#N)SC2=CC=CC=C2NC(=O)NC3=CC=C(C=C3)OC(F)(F)F)C

InChI

InChI=1S/C24H19F3N4O4S/c1-3-34-22(32)17-12-14(2)29-21(18(17)13-28)36-20-7-5-4-6-19(20)31-23(33)30-15-8-10-16(11-9-15)35-24(25,26)27/h4-12H,3H2,1-2H3,(H2,30,31,33)