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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2CCN(CC2)C)SCC(=O)O

Isomeric SMILES

CCCC1=NN=C(N1C2CCN(CC2)C)SCC(=O)O

InChI

InChI=1S/C13H22N4O2S/c1-3-4-11-14-15-13(20-9-12(18)19)17(11)10-5-7-16(2)8-6-10/h10H,3-9H2,1-2H3,(H,18,19)