methyl 1-(4-methylphenyl)-5-oxidanylidene-6-(phenylmethyl)-[1,2,4]triazolo[3,4-c][1,2,4]triazine-3-carboxylate

Systemtic Name: methyl 1-(4-methylphenyl)-5-oxidanylidene-6-(phenylmethyl)-[1,2,4]triazolo[3,4-c][1,2,4]triazine-3-carboxylate Openeye Name: methyl 6-benzyl-5-oxo-1-(p-tolyl)-[1,2,4]triazolo[3,4-c][1,2,4]triazine-3-carboxylate CAS Name: 1-(4-methylphenyl)-5-oxo-6-(phenylmethyl)-[1,2,4]triazolo[3,4-c][1,2,4]triazine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-benzyl-1-(4-methylphenyl)-5-oxo-[1,2,4]triazolo[3,4-c][1,2,4]triazine-3-carboxylate Traditional Name: 6-benzyl-5-keto-1-(p-tolyl)-[1,2,4]triazolo[3,4-c][1,2,4]triazine-3-carboxylic acid methyl ester Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=NN=C(C(=O)N3C(=N2)C(=O)OC)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=NN=C(C(=O)N3C(=N2)C(=O)OC)CC4=CC=CC=C4

InChI

InChI=1S/C20H17N5O3/c1-13-8-10-15(11-9-13)25-20-22-21-16(12-14-6-4-3-5-7-14)18(26)24(20)17(23-25)19(27)28-2/h3-11H,12H2,1-2H3