ethyl (5E)-5-(cyanomethylidene)-4-phenyl-1,3,4-thiadiazole-2-carboxylate

Systemtic Name: ethyl (5E)-5-(cyanomethylidene)-4-phenyl-1,3,4-thiadiazole-2-carboxylate Openeye Name: ethyl (5E)-5-(cyanomethylene)-4-phenyl-1,3,4-thiadiazole-2-carboxylate CAS Name: (5E)-5-(cyanomethylidene)-4-phenyl-1,3,4-thiadiazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl (5E)-5-(cyanomethylidene)-4-phenyl-1,3,4-thiadiazole-2-carboxylate Traditional Name: (5E)-5-(cyanomethylene)-4-phenyl-1,3,4-thiadiazole-2-carboxylic acid ethyl ester Formula: C13H11N3O2S MolecularWeight: 273.31034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=CC#N)S1)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=NN(/C(=C\C#N)/S1)C2=CC=CC=C2

InChI

InChI=1S/C13H11N3O2S/c1-2-18-13(17)12-15-16(11(19-12)8-9-14)10-6-4-3-5-7-10/h3-8H,2H2,1H3/b11-8+