ethyl 4-oxidanylidene-7-(phenylmethylsulfanyl)-6H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-7-(phenylmethylsulfanyl)-6H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate Openeye Name: ethyl 7-benzylsulfanyl-4-oxo-6H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate CAS Name: 4-oxo-7-(phenylmethylthio)-6H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 7-benzylsulfanyl-4-oxo-6H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate Traditional Name: 7-(benzylthio)-4-keto-6H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylic acid ethyl ester Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN2C1=NC=NC2=O)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NN2C1=NC=NC2=O)SCC3=CC=CC=C3

InChI

InChI=1S/C15H14N4O3S/c1-2-22-14(20)11-12-16-9-17-15(21)19(12)18-13(11)23-8-10-6-4-3-5-7-10/h3-7,9,18H,2,8H2,1H3