1-[2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]acetyl]isonipecotic acid Formula: C14H23N5O3S MolecularWeight: 341.42912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N1N)SCC(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=NN=C(N1N)SCC(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C14H23N5O3S/c1-14(2,3)12-16-17-13(19(12)15)23-8-10(20)18-6-4-9(5-7-18)11(21)22/h9H,4-8,15H2,1-3H3,(H,21,22)