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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C17H24N4O3S2 MolecularWeight: 396.52746

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC(=O)NCCC(C)C)C2=CC=CS2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC(=O)NCCC(C)C)C2=CC=CS2

InChI

InChI=1S/C17H24N4O3S2/c1-4-21-16(13-6-5-9-25-13)19-20-17(21)26-11-15(23)24-10-14(22)18-8-7-12(2)3/h5-6,9,12H,4,7-8,10-11H2,1-3H3,(H,18,22)