2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetic acid CAS Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]acetic acid IUPAC Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetic acid Traditional Name: 2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]acetic acid Formula: C7H10N2O2S MolecularWeight: 186.2315

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)SCC(=O)O

Isomeric SMILES

CC1=C(C(=NN1)C)SCC(=O)O

InChI

InChI=1S/C7H10N2O2S/c1-4-7(5(2)9-8-4)12-3-6(10)11/h3H2,1-2H3,(H,8,9)(H,10,11)