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

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

CCC1=NN=C(N1C2CCN(CC2)C)SCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1C2CCN(CC2)C)SCC(=O)O

InChI

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