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

Systemtic Name: methyl 4-oxidanylidene-7-(phenylmethylsulfanyl)-6H-pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C14H12N4O3S MolecularWeight: 316.33508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O3S/c1-21-13(19)10-11-15-8-16-14(20)18(11)17-12(10)22-7-9-5-3-2-4-6-9/h2-6,8,17H,7H2,1H3