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

Systemtic Name: 2-[(5-piperidin-1-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[[5-(1-piperidyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(1-piperidinyl)-4-propyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[(5-piperidin-1-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-piperidino-4-propyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C12H20N4O2S MolecularWeight: 284.3778

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)O)N2CCCCC2

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)O)N2CCCCC2

InChI

InChI=1S/C12H20N4O2S/c1-2-6-16-11(15-7-4-3-5-8-15)13-14-12(16)19-9-10(17)18/h2-9H2,1H3,(H,17,18)