ethyl 5-cyano-2-phenyl-6-propan-2-ylsulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-phenyl-6-propan-2-ylsulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-isopropylsulfanyl-2-phenyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-phenyl-6-(propan-2-ylthio)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-phenyl-6-propan-2-ylsulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-(isopropylthio)-2-phenyl-nicotinic acid ethyl ester Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C)C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C18H18N2O2S/c1-4-22-18(21)15-10-14(11-19)17(23-12(2)3)20-16(15)13-8-6-5-7-9-13/h5-10,12H,4H2,1-3H3