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

Systemtic Name: ethyl 6-cyano-5-oxidanylidene-1-phenyl-7-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate Openeye Name: ethyl 6-cyano-5-oxo-1-phenyl-7-(2-thienyl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate CAS Name: 6-cyano-5-oxo-1-phenyl-7-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-cyano-5-oxo-1-phenyl-7-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate Traditional Name: 6-cyano-5-keto-1-phenyl-7-(2-thienyl)-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C19H13N5O3S MolecularWeight: 391.40322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=NC(=C(C(=O)N12)C#N)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C2=NC(=C(C(=O)N12)C#N)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C19H13N5O3S/c1-2-27-18(26)16-22-24(12-7-4-3-5-8-12)19-21-15(14-9-6-10-28-14)13(11-20)17(25)23(16)19/h3-10H,2H2,1H3