ethyl 2-(2-methylsulfanyl-4-oxidanylidene-7-phenyl-pyrazolo[1,5-a][1,3,5]triazin-3-yl)ethanoate

Systemtic Name: ethyl 2-(2-methylsulfanyl-4-oxidanylidene-7-phenyl-pyrazolo[1,5-a][1,3,5]triazin-3-yl)ethanoate Openeye Name: ethyl 2-(2-methylsulfanyl-4-oxo-7-phenyl-pyrazolo[1,5-a][1,3,5]triazin-3-yl)acetate CAS Name: 2-[2-(methylthio)-4-oxo-7-phenyl-3-pyrazolo[1,5-a][1,3,5]triazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-methylsulfanyl-4-oxo-7-phenylpyrazolo[1,5-a][1,3,5]triazin-3-yl)acetate Traditional Name: 2-[4-keto-2-(methylthio)-7-phenyl-pyrazolo[1,5-a][1,3,5]triazin-3-yl]acetic acid ethyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=NC2=CC(=NN2C1=O)C3=CC=CC=C3)SC

Isomeric SMILES

CCOC(=O)CN1C(=NC2=CC(=NN2C1=O)C3=CC=CC=C3)SC

InChI

InChI=1S/C16H16N4O3S/c1-3-23-14(21)10-19-15(24-2)17-13-9-12(18-20(13)16(19)22)11-7-5-4-6-8-11/h4-9H,3,10H2,1-2H3