methyl 5-cyano-2-ethyl-4-phenyl-6-sulfanylidene-1H-pyridine-3-carboxylate

Systemtic Name: methyl 5-cyano-2-ethyl-4-phenyl-6-sulfanylidene-1H-pyridine-3-carboxylate Openeye Name: methyl 5-cyano-2-ethyl-4-phenyl-6-thioxo-1H-pyridine-3-carboxylate CAS Name: 5-cyano-2-ethyl-4-phenyl-6-sulfanylidene-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-cyano-2-ethyl-4-phenyl-6-sulfanylidene-1H-pyridine-3-carboxylate Traditional Name: 5-cyano-2-ethyl-4-phenyl-6-thioxo-1H-pyridine-3-carboxylic acid methyl ester Formula: C16H14N2O2S MolecularWeight: 298.35956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=S)N1)C#N)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(C(=S)N1)C#N)C2=CC=CC=C2)C(=O)OC

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/h4-8H,3H2,1-2H3,(H,18,21)