2-[(1-ethyl-5-methyl-pyrazol-4-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(1-ethyl-5-methyl-pyrazol-4-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(1-ethyl-5-methyl-pyrazol-4-yl)methylsulfanyl]acetic acid CAS Name: 2-[(1-ethyl-5-methyl-4-pyrazolyl)methylthio]acetic acid IUPAC Name: 2-[(1-ethyl-5-methylpyrazol-4-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(1-ethyl-5-methyl-pyrazol-4-yl)methylthio]acetic acid Formula: C9H14N2O2S MolecularWeight: 214.28466

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CSCC(=O)O)C

Isomeric SMILES

CCN1C(=C(C=N1)CSCC(=O)O)C

InChI

InChI=1S/C9H14N2O2S/c1-3-11-7(2)8(4-10-11)5-14-6-9(12)13/h4H,3,5-6H2,1-2H3,(H,12,13)