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

Systemtic Name: methyl 6-cyano-5-oxidanylidene-1-phenyl-7-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H11N5O3S MolecularWeight: 377.37664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11N5O3S/c1-26-17(25)15-21-23(11-6-3-2-4-7-11)18-20-14(13-8-5-9-27-13)12(10-19)16(24)22(15)18/h2-9H,1H3