3-[(1-methyl-3-phenyl-pyrazol-4-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(1-methyl-3-phenyl-pyrazol-4-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(1-methyl-3-phenyl-pyrazol-4-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(1-methyl-3-phenyl-4-pyrazolyl)methylthio]propanoic acid IUPAC Name: 3-[(1-methyl-3-phenylpyrazol-4-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(1-methyl-3-phenyl-pyrazol-4-yl)methylthio]propionic acid Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2)CSCCC(=O)O

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2)CSCCC(=O)O

InChI

InChI=1S/C14H16N2O2S/c1-16-9-12(10-19-8-7-13(17)18)14(15-16)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,17,18)