2-[(1-methylpyrazol-4-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(1-methylpyrazol-4-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(1-methylpyrazol-4-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(1-methyl-4-pyrazolyl)methylthio]propanoic acid IUPAC Name: 2-[(1-methylpyrazol-4-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(1-methylpyrazol-4-yl)methylthio]propionic acid Formula: C8H12N2O2S MolecularWeight: 200.25808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CN(N=C1)C

Isomeric SMILES

CC(C(=O)O)SCC1=CN(N=C1)C

InChI

InChI=1S/C8H12N2O2S/c1-6(8(11)12)13-5-7-3-9-10(2)4-7/h3-4,6H,5H2,1-2H3,(H,11,12)