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

Systemtic Name: ethyl 2-[4-methyl-5-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-[2-(isobutylamino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[4-methyl-5-[[2-(2-methylpropylamino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-methyl-5-[2-(2-methylpropylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-[[2-(isobutylamino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C13H22N4O3S MolecularWeight: 314.40378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N4O3S/c1-5-20-12(19)6-10-15-16-13(17(10)4)21-8-11(18)14-7-9(2)3/h9H,5-8H2,1-4H3,(H,14,18)