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

Systemtic Name: 1-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]nipecotic acid Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=NN=CN2C3CC3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CSC2=NN=CN2C3CC3)C(=O)O

InChI

InChI=1S/C13H18N4O3S/c18-11(16-5-1-2-9(6-16)12(19)20)7-21-13-15-14-8-17(13)10-3-4-10/h8-10H,1-7H2,(H,19,20)