2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid

Systemtic Name: 2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Openeye Name: 2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid CAS Name: 2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)thio]propanoic acid IUPAC Name: 2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: 2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)thio]propionic acid Formula: C13H21N3O2S MolecularWeight: 283.38974

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)O)C2CCCCC2

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)O)C2CCCCC2

InChI

InChI=1S/C13H21N3O2S/c1-3-16-11(10-7-5-4-6-8-10)14-15-13(16)19-9(2)12(17)18/h9-10H,3-8H2,1-2H3,(H,17,18)