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

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: [2-(tert-butylamino)-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-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-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-(tert-butylamino)-2-keto-ethyl] ester Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O3S/c1-5-22-16(13-9-7-6-8-10-13)20-21-17(22)26-12-15(24)25-11-14(23)19-18(2,3)4/h6-10H,5,11-12H2,1-4H3,(H,19,23)