ethyl 6-[(3-bromophenyl)methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[(3-bromophenyl)methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[(3-bromophenyl)methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[(3-bromophenyl)methylthio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(3-bromophenyl)methylsulfanyl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[(3-bromobenzyl)thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C17H15BrN2O2S MolecularWeight: 391.2822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC(=CC=C2)Br)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=CC(=CC=C2)Br)C

InChI

InChI=1S/C17H15BrN2O2S/c1-3-22-17(21)15-8-13(9-19)16(20-11(15)2)23-10-12-5-4-6-14(18)7-12/h4-8H,3,10H2,1-2H3