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

Systemtic Name: ethyl (5E)-5-(cyanomethylidene)-4-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxylate Openeye Name: ethyl (5E)-5-(cyanomethylene)-4-(m-tolyl)-1,3,4-thiadiazole-2-carboxylate CAS Name: (5E)-5-(cyanomethylidene)-4-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxylic acid ethyl ester IUPAC Name: ethyl (5E)-5-(cyanomethylidene)-4-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxylate Traditional Name: (5E)-5-(cyanomethylene)-4-(m-tolyl)-1,3,4-thiadiazole-2-carboxylic acid ethyl ester Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O2S/c1-3-19-14(18)13-16-17(12(20-13)7-8-15)11-6-4-5-10(2)9-11/h4-7,9H,3H2,1-2H3/b12-7+