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

Systemtic Name: ethyl 2-[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-(2-amino-2-oxo-ethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[5-[(2-amino-2-oxoethyl)thio]-4-methyl-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-[(2-amino-2-keto-ethyl)thio]-4-methyl-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C9H14N4O3S MolecularWeight: 258.29746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N4O3S/c1-3-16-8(15)4-7-11-12-9(13(7)2)17-5-6(10)14/h3-5H2,1-2H3,(H2,10,14)