methyl 4-[2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoate Traditional Name: 4-[[2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]butyric acid methyl ester Formula: C12H20N4O4S MolecularWeight: 316.3766

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)NCCCC(=O)OC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)NCCCC(=O)OC

InChI

InChI=1S/C12H20N4O4S/c1-3-7-16-11(19)14-15-12(16)21-8-9(17)13-6-4-5-10(18)20-2/h3-8H2,1-2H3,(H,13,17)(H,14,19)