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

Systemtic Name: 1-[2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]isonipecotic acid Formula: C13H19N5O3S MolecularWeight: 325.38666

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C13H19N5O3S/c14-18-11(8-1-2-8)15-16-13(18)22-7-10(19)17-5-3-9(4-6-17)12(20)21/h8-9H,1-7,14H2,(H,20,21)