1-[2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(4-allyl-1,2,4-triazol-3-yl)thio]acetyl]isonipecotic acid Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C=NN=C1SCC(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

C=CCN1C=NN=C1SCC(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C13H18N4O3S/c1-2-5-17-9-14-15-13(17)21-8-11(18)16-6-3-10(4-7-16)12(19)20/h2,9-10H,1,3-8H2,(H,19,20)