ethyl 7-cyano-3-phenyl-6-sulfanylidene-2,4-dihydro-1H-pyrido[1,2-a][1,3,5]triazine-9-carboxylate

Systemtic Name: ethyl 7-cyano-3-phenyl-6-sulfanylidene-2,4-dihydro-1H-pyrido[1,2-a][1,3,5]triazine-9-carboxylate Openeye Name: ethyl 7-cyano-3-phenyl-6-thioxo-2,4-dihydro-1H-pyrido[1,2-a][1,3,5]triazine-9-carboxylate CAS Name: 7-cyano-3-phenyl-6-sulfanylidene-2,4-dihydro-1H-pyrido[1,2-a][1,3,5]triazine-9-carboxylic acid ethyl ester IUPAC Name: ethyl 7-cyano-3-phenyl-6-sulfanylidene-2,4-dihydro-1H-pyrido[1,2-a][1,3,5]triazine-9-carboxylate Traditional Name: 7-cyano-3-phenyl-6-thioxo-2,4-dihydro-1H-pyrido[1,2-a][1,3,5]triazine-9-carboxylic acid ethyl ester Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2NCN(CN2C(=S)C(=C1)C#N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C2NCN(CN2C(=S)C(=C1)C#N)C3=CC=CC=C3

InChI

InChI=1S/C17H16N4O2S/c1-2-23-17(22)14-8-12(9-18)16(24)21-11-20(10-19-15(14)21)13-6-4-3-5-7-13/h3-8,19H,2,10-11H2,1H3