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

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

CCCCC(C(=O)O)NC(=O)CSC1=NN=CN1C(C)C

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)CSC1=NN=CN1C(C)C

InChI

InChI=1S/C13H22N4O3S/c1-4-5-6-10(12(19)20)15-11(18)7-21-13-16-14-8-17(13)9(2)3/h8-10H,4-7H2,1-3H3,(H,15,18)(H,19,20)