ethyl 2-tert-butyl-3-chloranyl-5-cyano-6-pyridin-2-ylsulfanyl-pyridine-4-carboxylate

Systemtic Name: ethyl 2-tert-butyl-3-chloranyl-5-cyano-6-pyridin-2-ylsulfanyl-pyridine-4-carboxylate Openeye Name: ethyl 2-tert-butyl-3-chloro-5-cyano-6-(2-pyridylsulfanyl)pyridine-4-carboxylate CAS Name: 2-tert-butyl-3-chloro-5-cyano-6-(2-pyridinylthio)-4-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-tert-butyl-3-chloro-5-cyano-6-pyridin-2-ylsulfanylpyridine-4-carboxylate Traditional Name: 2-tert-butyl-3-chloro-5-cyano-6-(2-pyridylthio)isonicotinic acid ethyl ester Formula: C18H18ClN3O2S MolecularWeight: 375.87242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NC(=C1Cl)C(C)(C)C)SC2=CC=CC=N2)C#N

Isomeric SMILES

CCOC(=O)C1=C(C(=NC(=C1Cl)C(C)(C)C)SC2=CC=CC=N2)C#N

InChI

InChI=1S/C18H18ClN3O2S/c1-5-24-17(23)13-11(10-20)16(25-12-8-6-7-9-21-12)22-15(14(13)19)18(2,3)4/h6-9H,5H2,1-4H3