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

Systemtic Name: 4-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoic acid Openeye Name: 4-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoic acid CAS Name: 4-[[1-oxo-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]butanoic acid IUPAC Name: 4-[[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoic acid Traditional Name: 4-[[2-[(4-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]butyric acid Formula: C11H18N4O3S MolecularWeight: 286.35062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N4O3S/c1-8(2)15-7-13-14-11(15)19-6-9(16)12-5-3-4-10(17)18/h7-8H,3-6H2,1-2H3,(H,12,16)(H,17,18)