2-[(4-cyclooctyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(4-cyclooctyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(4-cyclooctyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-cyclooctyl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-cyclooctyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-cyclooctyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C12H19N3O2S MolecularWeight: 269.36316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)N2C=NN=C2SCC(=O)O

Isomeric SMILES

C1CCCC(CCC1)N2C=NN=C2SCC(=O)O

InChI

InChI=1S/C12H19N3O2S/c16-11(17)8-18-12-14-13-9-15(12)10-6-4-2-1-3-5-7-10/h9-10H,1-8H2,(H,16,17)