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

Systemtic Name: 6-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]hexanoic acid Openeye Name: 6-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]hexanoic acid CAS Name: 6-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]hexanoic acid Traditional Name: 6-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]hexanoic acid Formula: C13H20N4O3S MolecularWeight: 312.3879

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=NN=C2SCC(=O)NCCCCCC(=O)O

Isomeric SMILES

C1CC1N2C=NN=C2SCC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C13H20N4O3S/c18-11(14-7-3-1-2-4-12(19)20)8-21-13-16-15-9-17(13)10-5-6-10/h9-10H,1-8H2,(H,14,18)(H,19,20)