5-acetamido-3-pentylsulfanyl-1H-pyrazole-4-carboxylic acid

Systemtic Name: 5-acetamido-3-pentylsulfanyl-1H-pyrazole-4-carboxylic acid Openeye Name: 5-acetamido-3-pentylsulfanyl-1H-pyrazole-4-carboxylic acid CAS Name: 5-acetamido-3-(pentylthio)-1H-pyrazole-4-carboxylic acid IUPAC Name: 5-acetamido-3-pentylsulfanyl-1H-pyrazole-4-carboxylic acid Traditional Name: 5-acetamido-3-(amylthio)-1H-pyrazole-4-carboxylic acid Formula: C11H17N3O3S MolecularWeight: 271.33598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NNC(=C1C(=O)O)NC(=O)C

Isomeric SMILES

CCCCCSC1=NNC(=C1C(=O)O)NC(=O)C

InChI

InChI=1S/C11H17N3O3S/c1-3-4-5-6-18-10-8(11(16)17)9(13-14-10)12-7(2)15/h3-6H2,1-2H3,(H,16,17)(H2,12,13,14,15)