methyl 5-cyano-2-ethyl-4-phenyl-6-sulfanylidene-3H-pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-2-ethyl-4-phenyl-6-sulfanylidene-3H-pyridine-3-carboxylate Openeye Name: methyl 5-cyano-2-ethyl-4-phenyl-6-thioxo-3H-pyridine-3-carboxylate CAS Name: 5-cyano-2-ethyl-4-phenyl-6-sulfanylidene-3H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-2-ethyl-4-phenyl-6-sulfanylidene-3H-pyridine-3-carboxylate Traditional Name: 5-cyano-2-ethyl-4-phenyl-6-thioxo-3H-pyridine-3-carboxylic acid methyl ester Formula: C16H14N2O2S MolecularWeight: 298.35956

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=S)C(=C(C1C(=O)OC)C2=CC=CC=C2)C#N

Isomeric SMILES

CCC1=NC(=S)C(=C(C1C(=O)OC)C2=CC=CC=C2)C#N

InChI

InChI=1S/C16H14N2O2S/c1-3-12-14(16(19)20-2)13(10-7-5-4-6-8-10)11(9-17)15(21)18-12/h4-8,14H,3H2,1-2H3