ethyl 6-cyano-5-oxidanylidene-1,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 6-cyano-5-oxidanylidene-1,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate Openeye Name: ethyl 6-cyano-5-oxo-1,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate CAS Name: 6-cyano-5-oxo-1,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-cyano-5-oxo-1,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate Traditional Name: 6-cyano-5-keto-1,7-diphenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C21H15N5O3 MolecularWeight: 385.3755

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=NC(=C(C(=O)N12)C#N)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C2=NC(=C(C(=O)N12)C#N)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H15N5O3/c1-2-29-20(28)18-24-26(15-11-7-4-8-12-15)21-23-17(14-9-5-3-6-10-14)16(13-22)19(27)25(18)21/h3-12H,2H2,1H3