2-[(1,5-dimethylpyrazol-4-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(1,5-dimethylpyrazol-4-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(1,5-dimethylpyrazol-4-yl)methylsulfanyl]acetic acid CAS Name: 2-[(1,5-dimethyl-4-pyrazolyl)methylthio]acetic acid IUPAC Name: 2-[(1,5-dimethylpyrazol-4-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(1,5-dimethylpyrazol-4-yl)methylthio]acetic acid Formula: C8H12N2O2S MolecularWeight: 200.25808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CSCC(=O)O

Isomeric SMILES

CC1=C(C=NN1C)CSCC(=O)O

InChI

InChI=1S/C8H12N2O2S/c1-6-7(3-9-10(6)2)4-13-5-8(11)12/h3H,4-5H2,1-2H3,(H,11,12)