[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-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-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 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-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C22H14ClN5O3S MolecularWeight: 463.89626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCC(=O)NC3=CC(=C(C=C3)C#N)Cl)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCC(=O)NC3=CC(=C(C=C3)C#N)Cl)C4=CC=CS4

InChI

InChI=1S/C22H14ClN5O3S/c23-17-11-15(9-8-14(17)12-24)25-19(29)13-31-22(30)20-26-21(18-7-4-10-32-18)28(27-20)16-5-2-1-3-6-16/h1-11H,13H2,(H,25,29)