3-[(1-methylpyrazol-4-yl)methylsulfanyl]propanoate

Systemtic Name: 3-[(1-methylpyrazol-4-yl)methylsulfanyl]propanoate Openeye Name: 3-[(1-methylpyrazol-4-yl)methylsulfanyl]propanoate CAS Name: 3-[(1-methyl-4-pyrazolyl)methylthio]propanoate IUPAC Name: 3-[(1-methylpyrazol-4-yl)methylsulfanyl]propanoate Traditional Name: 3-[(1-methylpyrazol-4-yl)methylthio]propionate Formula: C8H11N2O2S- MolecularWeight: 199.25014

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CSCCC(=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)CSCCC(=O)[O-]

InChI

InChI=1S/C8H12N2O2S/c1-10-5-7(4-9-10)6-13-3-2-8(11)12/h4-5H,2-3,6H2,1H3,(H,11,12)/p-1