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

Systemtic Name: 2-[(1-phenylpyrazol-4-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(1-phenylpyrazol-4-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(1-phenyl-4-pyrazolyl)methylthio]propanoic acid IUPAC Name: 2-[(1-phenylpyrazol-4-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(1-phenylpyrazol-4-yl)methylthio]propionic acid Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CN(N=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)SCC1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C13H14N2O2S/c1-10(13(16)17)18-9-11-7-14-15(8-11)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,16,17)