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

Systemtic Name: 2-[(4-methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[[4-methyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-methyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[(4-methyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(4-methyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetic acid Formula: C10H16N4O2S MolecularWeight: 256.32464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)O)N2CCCCC2

Isomeric SMILES

CN1C(=NN=C1SCC(=O)O)N2CCCCC2

InChI

InChI=1S/C10H16N4O2S/c1-13-9(14-5-3-2-4-6-14)11-12-10(13)17-7-8(15)16/h2-7H2,1H3,(H,15,16)