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

Systemtic Name: ethyl 4-[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoate Traditional Name: 4-[[2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C13H22N4O3S MolecularWeight: 314.40378

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)NCCCC(=O)OCC

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)NCCCC(=O)OCC

InChI

InChI=1S/C13H22N4O3S/c1-3-6-10-15-13(17-16-10)21-9-11(18)14-8-5-7-12(19)20-4-2/h3-9H2,1-2H3,(H,14,18)(H,15,16,17)