ethyl 5-cyano-2-phenyl-6-propylsulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-phenyl-6-propylsulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-phenyl-6-propylsulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-phenyl-6-(propylthio)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-phenyl-6-propylsulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-2-phenyl-6-(propylthio)nicotinic acid ethyl ester Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=C(C=C1C#N)C(=O)OCC)C2=CC=CC=C2

Isomeric SMILES

CCCSC1=NC(=C(C=C1C#N)C(=O)OCC)C2=CC=CC=C2

InChI

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