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

Systemtic Name: methyl 4-azanyl-5-cyano-2-methyl-6-(phenylmethylsulfanyl)pyridine-3-carboxylate Openeye Name: methyl 4-amino-6-benzylsulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 4-amino-5-cyano-2-methyl-6-(phenylmethylthio)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 4-amino-6-benzylsulfanyl-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 4-amino-6-(benzylthio)-5-cyano-2-methyl-nicotinic acid methyl ester Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)SCC2=CC=CC=C2)C#N)N)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(C(=N1)SCC2=CC=CC=C2)C#N)N)C(=O)OC

InChI

InChI=1S/C16H15N3O2S/c1-10-13(16(20)21-2)14(18)12(8-17)15(19-10)22-9-11-6-4-3-5-7-11/h3-7H,9H2,1-2H3,(H2,18,19)