ethyl 5-cyano-6-methyl-2-[2-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]phenyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-methyl-2-[2-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]phenyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-methyl-2-[2-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]phenyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-methyl-2-[[2-[[oxo-[4-(trifluoromethylthio)anilino]methyl]amino]phenyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-methyl-2-[2-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]phenyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-methyl-2-[[2-[[4-(trifluoromethylthio)phenyl]carbamoylamino]phenyl]thio]nicotinic acid ethyl ester Formula: C24H19F3N4O3S2 MolecularWeight: 532.55787

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)C)SC2=CC=CC=C2NC(=O)NC3=CC=C(C=C3)SC(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)C)SC2=CC=CC=C2NC(=O)NC3=CC=C(C=C3)SC(F)(F)F

InChI

InChI=1S/C24H19F3N4O3S2/c1-3-34-22(32)18-12-15(13-28)14(2)29-21(18)35-20-7-5-4-6-19(20)31-23(33)30-16-8-10-17(11-9-16)36-24(25,26)27/h4-12H,3H2,1-2H3,(H2,30,31,33)