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

Systemtic Name: ethyl 5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanylidene-1H-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-4-(3-pyridyl)-6-thioxo-1H-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-4-(3-pyridinyl)-6-sulfanylidene-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanylidene-1H-pyridine-3-carboxylate Traditional Name: 5-cyano-2-methyl-4-(3-pyridyl)-6-thioxo-1H-pyridine-3-carboxylic acid ethyl ester Formula: C15H13N3O2S MolecularWeight: 299.34762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)C(=C1C2=CN=CC=C2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)C(=C1C2=CN=CC=C2)C#N)C

InChI

InChI=1S/C15H13N3O2S/c1-3-20-15(19)12-9(2)18-14(21)11(7-16)13(12)10-5-4-6-17-8-10/h4-6,8H,3H2,1-2H3,(H,18,21)