2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)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-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)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-phthalimidoethyl ester Formula: C23H16N4O4S MolecularWeight: 444.46254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CS5

InChI

InChI=1S/C23H16N4O4S/c28-21-16-9-4-5-10-17(16)22(29)26(21)12-13-31-23(30)19-24-20(18-11-6-14-32-18)27(25-19)15-7-2-1-3-8-15/h1-11,14H,12-13H2