ethyl 6-[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4-bromoanilino)-1-methyl-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[[1-(4-bromoanilino)-1-oxopropan-2-yl]thio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[1-(4-bromoanilino)-1-oxopropan-2-yl]sulfanyl-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[[2-(4-bromoanilino)-2-keto-1-methyl-ethyl]thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C)C(=O)NC2=CC=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C)C(=O)NC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C19H18BrN3O3S/c1-4-26-19(25)16-9-13(10-21)18(22-11(16)2)27-12(3)17(24)23-15-7-5-14(20)6-8-15/h5-9,12H,4H2,1-3H3,(H,23,24)