ethyl 6-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[(2-chloro-4-fluorophenyl)methylthio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[(2-chloro-4-fluoro-benzyl)thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C17H14ClFN2O2S MolecularWeight: 364.821663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=C(C=C(C=C2)F)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=C(C=C(C=C2)F)Cl)C

InChI

InChI=1S/C17H14ClFN2O2S/c1-3-23-17(22)14-6-12(8-20)16(21-10(14)2)24-9-11-4-5-13(19)7-15(11)18/h4-7H,3,9H2,1-2H3