[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C17H22N4O3S MolecularWeight: 362.44658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC(=O)NC(C)C)C2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC(=O)NC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C17H22N4O3S/c1-4-21-16(13-8-6-5-7-9-13)19-20-17(21)25-11-15(23)24-10-14(22)18-12(2)3/h5-9,12H,4,10-11H2,1-3H3,(H,18,22)