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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2CCN(CC2)C)SCC(=O)O

Isomeric SMILES

CC(C)C1=NN=C(N1C2CCN(CC2)C)SCC(=O)O

InChI

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