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

Systemtic Name: 2-[[5-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-isopropyl-5-(4-methyl-1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(4-methyl-1-piperidinyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-isopropyl-5-(4-methylpiperidino)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H22N4O2S MolecularWeight: 298.40438

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(N2C(C)C)SCC(=O)O

Isomeric SMILES

CC1CCN(CC1)C2=NN=C(N2C(C)C)SCC(=O)O

InChI

InChI=1S/C13H22N4O2S/c1-9(2)17-12(16-6-4-10(3)5-7-16)14-15-13(17)20-8-11(18)19/h9-10H,4-8H2,1-3H3,(H,18,19)