6-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]hexanoic acid

Systemtic Name: 6-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]hexanoic acid Openeye Name: 6-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]hexanoic acid CAS Name: 6-[[1-oxo-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]hexanoic acid IUPAC Name: 6-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]hexanoic acid Traditional Name: 6-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]hexanoic acid Formula: C13H22N4O3S MolecularWeight: 314.40378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN=C1SCC(=O)NCCCCCC(=O)O

Isomeric SMILES

CC(C)N1C=NN=C1SCC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C13H22N4O3S/c1-10(2)17-9-15-16-13(17)21-8-11(18)14-7-5-3-4-6-12(19)20/h9-10H,3-8H2,1-2H3,(H,14,18)(H,19,20)