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

Systemtic Name: 2-[[5-cyclopropyl-4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-cyclopropyl-4-(1-methyl-4-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-cyclopropyl-4-(1-methyl-4-piperidinyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-cyclopropyl-4-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-cyclopropyl-4-(1-methyl-4-piperidyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H20N4O2S MolecularWeight: 296.3885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2C(=NN=C2SCC(=O)O)C3CC3

Isomeric SMILES

CN1CCC(CC1)N2C(=NN=C2SCC(=O)O)C3CC3

InChI

InChI=1S/C13H20N4O2S/c1-16-6-4-10(5-7-16)17-12(9-2-3-9)14-15-13(17)20-8-11(18)19/h9-10H,2-8H2,1H3,(H,18,19)