[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxylic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-cyclopropyl-2-(methylthio)isonicotinic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C19H16BrN3O3S MolecularWeight: 446.31764

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC(=O)NC3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)OCC(=O)NC3=CC=C(C=C3)Br)C#N

InChI

InChI=1S/C19H16BrN3O3S/c1-27-18-15(9-21)14(8-16(23-18)11-2-3-11)19(25)26-10-17(24)22-13-6-4-12(20)5-7-13/h4-8,11H,2-3,10H2,1H3,(H,22,24)