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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)C(C)OC(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O3S/c1-3-11-20-18(24)13(2)26-19(25)16-21-17(15-10-7-12-27-15)23(22-16)14-8-5-4-6-9-14/h4-10,12-13H,3,11H2,1-2H3,(H,20,24)