2-[2-(3-methylpyrazol-1-yl)ethylsulfanyl]ethanoic acid

Systemtic Name: 2-[2-(3-methylpyrazol-1-yl)ethylsulfanyl]ethanoic acid Openeye Name: 2-[2-(3-methylpyrazol-1-yl)ethylsulfanyl]acetic acid CAS Name: 2-[2-(3-methyl-1-pyrazolyl)ethylthio]acetic acid IUPAC Name: 2-[2-(3-methylpyrazol-1-yl)ethylsulfanyl]acetic acid Traditional Name: 2-[2-(3-methylpyrazol-1-yl)ethylthio]acetic acid Formula: C8H12N2O2S MolecularWeight: 200.25808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCSCC(=O)O

Isomeric SMILES

CC1=NN(C=C1)CCSCC(=O)O

InChI

InChI=1S/C8H12N2O2S/c1-7-2-3-10(9-7)4-5-13-6-8(11)12/h2-3H,4-6H2,1H3,(H,11,12)