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

Systemtic Name: 2-[[4-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-ethyl-5-(4-methyl-1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-ethyl-5-(4-methyl-1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-ethyl-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-ethyl-5-(4-methylpiperidino)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H20N4O2S MolecularWeight: 284.3778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)O)N2CCC(CC2)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)O)N2CCC(CC2)C

InChI

InChI=1S/C12H20N4O2S/c1-3-16-11(15-6-4-9(2)5-7-15)13-14-12(16)19-8-10(17)18/h9H,3-8H2,1-2H3,(H,17,18)