ethyl 4-oxidanylidene-7-phenyl-2-sulfanylidene-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-7-phenyl-2-sulfanylidene-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate Openeye Name: ethyl 4-oxo-7-phenyl-2-thioxo-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate CAS Name: 4-oxo-7-phenyl-2-sulfanylidene-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-7-phenyl-2-sulfanylidene-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylate Traditional Name: 4-keto-7-phenyl-2-thioxo-1H-pyrrolo[1,2-a][1,3,5]triazine-8-carboxylic acid ethyl ester Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2NC(=S)NC(=O)N2C=C1C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C2NC(=S)NC(=O)N2C=C1C3=CC=CC=C3

InChI

InChI=1S/C15H13N3O3S/c1-2-21-13(19)11-10(9-6-4-3-5-7-9)8-18-12(11)16-14(22)17-15(18)20/h3-8H,2H2,1H3,(H2,16,17,20,22)