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

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)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-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)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-keto-2-(propargylamino)ethyl] ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC(=O)NCC#C)C2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC(=O)NCC#C)C2=CC=CC=C2

InChI

InChI=1S/C17H18N4O3S/c1-3-10-18-14(22)11-24-15(23)12-25-17-20-19-16(21(17)4-2)13-8-6-5-7-9-13/h1,5-9H,4,10-12H2,2H3,(H,18,22)