ethyl 5-cyano-6-[2-(phenylcarbamoylamino)phenyl]sulfanyl-2-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[2-(phenylcarbamoylamino)phenyl]sulfanyl-2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(phenylcarbamoylamino)phenyl]sulfanyl-2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 6-[[2-[[anilino(oxo)methyl]amino]phenyl]thio]-5-cyano-2-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-(phenylcarbamoylamino)phenyl]sulfanyl-2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(phenylcarbamoylamino)phenyl]thio]-2-(trifluoromethyl)nicotinic acid ethyl ester Formula: C23H17F3N4O3S MolecularWeight: 486.46629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17F3N4O3S/c1-2-33-21(31)16-12-14(13-27)20(30-19(16)23(24,25)26)34-18-11-7-6-10-17(18)29-22(32)28-15-8-4-3-5-9-15/h3-12H,2H2,1H3,(H2,28,29,32)