3-[(1,5-dimethylpyrazol-4-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(1,5-dimethylpyrazol-4-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(1,5-dimethylpyrazol-4-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(1,5-dimethyl-4-pyrazolyl)methylthio]propanoic acid IUPAC Name: 3-[(1,5-dimethylpyrazol-4-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(1,5-dimethylpyrazol-4-yl)methylthio]propionic acid Formula: C9H14N2O2S MolecularWeight: 214.28466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CSCCC(=O)O

Isomeric SMILES

CC1=C(C=NN1C)CSCCC(=O)O

InChI

InChI=1S/C9H14N2O2S/c1-7-8(5-10-11(7)2)6-14-4-3-9(12)13/h5H,3-4,6H2,1-2H3,(H,12,13)