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

Systemtic Name: ethyl 2-[4-methyl-5-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-[2-(isopropylamino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[4-methyl-5-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-methyl-5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-[[2-(isopropylamino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C12H20N4O3S MolecularWeight: 300.3772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C)SCC(=O)NC(C)C

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C)SCC(=O)NC(C)C

InChI

InChI=1S/C12H20N4O3S/c1-5-19-11(18)6-9-14-15-12(16(9)4)20-7-10(17)13-8(2)3/h8H,5-7H2,1-4H3,(H,13,17)