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

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: [2-(2-furylmethylamino)-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-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-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-(2-furfurylamino)-2-keto-ethyl] ester Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCC(=O)NCC3=CC=CO3)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCC(=O)NCC3=CC=CO3)C4=CC=CS4

InChI

InChI=1S/C20H16N4O4S/c25-17(21-12-15-8-4-10-27-15)13-28-20(26)18-22-19(16-9-5-11-29-16)24(23-18)14-6-2-1-3-7-14/h1-11H,12-13H2,(H,21,25)