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

Systemtic Name: [2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: [2-(diisopropylamino)-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-[di(propan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[di(propan-2-yl)amino]-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-(diisopropylamino)-2-keto-ethyl] ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-14(2)24(15(3)4)18(26)13-28-21(27)19-22-20(17-11-8-12-29-17)25(23-19)16-9-6-5-7-10-16/h5-12,14-15H,13H2,1-4H3