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

Systemtic Name: [2-(diethylamino)-2-oxidanylidene-ethyl] 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: [2-(diethylamino)-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-(diethylamino)-2-oxoethyl] ester IUPAC Name: [2-(diethylamino)-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-(diethylamino)-2-keto-ethyl] ester Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)COC(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)COC(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O3S/c1-3-22(4-2)16(24)13-26-19(25)17-20-18(15-11-8-12-27-15)23(21-17)14-9-6-5-7-10-14/h5-12H,3-4,13H2,1-2H3