ethyl 4-azanyl-5-cyano-2-methyl-6-(phenylmethylsulfanyl)pyridine-3-carboxylate

Systemtic Name: ethyl 4-azanyl-5-cyano-2-methyl-6-(phenylmethylsulfanyl)pyridine-3-carboxylate Openeye Name: ethyl 4-amino-6-benzylsulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 4-amino-5-cyano-2-methyl-6-(phenylmethylthio)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-6-benzylsulfanyl-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 4-amino-6-(benzylthio)-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1N)C#N)SCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1N)C#N)SCC2=CC=CC=C2)C

InChI

InChI=1S/C17H17N3O2S/c1-3-22-17(21)14-11(2)20-16(13(9-18)15(14)19)23-10-12-7-5-4-6-8-12/h4-8H,3,10H2,1-2H3,(H2,19,20)