1-cyanoethyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Systemtic Name: 1-cyanoethyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: 1-cyanoethyl 1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxylate CAS Name: 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Traditional Name: 1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxylic acid 1-cyanoethyl ester Formula: C16H12N4O2S MolecularWeight: 324.35708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CC(C#N)OC(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C16H12N4O2S/c1-11(10-17)22-16(21)14-18-15(13-8-5-9-23-13)20(19-14)12-6-3-2-4-7-12/h2-9,11H,1H3