ethyl 6-[4-(4-bromophenyl)-4-oxidanylidene-butyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-(4-bromophenyl)-4-oxidanylidene-butyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(4-bromophenyl)-4-oxo-butyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[[4-(4-bromophenyl)-4-oxobutyl]thio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(4-bromophenyl)-4-oxobutyl]sulfanyl-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[[4-(4-bromophenyl)-4-keto-butyl]thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C20H19BrN2O3S MolecularWeight: 447.34546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O3S/c1-3-26-20(25)17-11-15(12-22)19(23-13(17)2)27-10-4-5-18(24)14-6-8-16(21)9-7-14/h6-9,11H,3-5,10H2,1-2H3