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

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: [2-(dimethylamino)-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-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 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-(dimethylamino)-2-keto-ethyl] ester Formula: C16H20N4O3S MolecularWeight: 348.42

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O3S/c1-4-20-15(12-8-6-5-7-9-12)17-18-16(20)24-11-14(22)23-10-13(21)19(2)3/h5-9H,4,10-11H2,1-3H3