2-(4-cyanophenoxy)ethyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Systemtic Name: 2-(4-cyanophenoxy)ethyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: 2-(4-cyanophenoxy)ethyl 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 2-(4-cyanophenoxy)ethyl ester IUPAC Name: 2-(4-cyanophenoxy)ethyl 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 2-(4-cyanophenoxy)ethyl ester Formula: C22H16N4O3S MolecularWeight: 416.45244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCCOC3=CC=C(C=C3)C#N)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCCOC3=CC=C(C=C3)C#N)C4=CC=CS4

InChI

InChI=1S/C22H16N4O3S/c23-15-16-8-10-18(11-9-16)28-12-13-29-22(27)20-24-21(19-7-4-14-30-19)26(25-20)17-5-2-1-3-6-17/h1-11,14H,12-13H2