[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)OCC(=O)NCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)OCC(=O)NCC4=CC=CS4

InChI

InChI=1S/C22H18N4O3S/c27-19(23-14-18-12-7-13-30-18)15-29-22(28)20-24-21(16-8-3-1-4-9-16)26(25-20)17-10-5-2-6-11-17/h1-13H,14-15H2,(H,23,27)