3-[(1-phenylpyrazol-4-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(1-phenylpyrazol-4-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(1-phenylpyrazol-4-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(1-phenyl-4-pyrazolyl)methylthio]propanoic acid IUPAC Name: 3-[(1-phenylpyrazol-4-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(1-phenylpyrazol-4-yl)methylthio]propionic acid Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CSCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CSCCC(=O)O

InChI

InChI=1S/C13H14N2O2S/c16-13(17)6-7-18-10-11-8-14-15(9-11)12-4-2-1-3-5-12/h1-5,8-9H,6-7,10H2,(H,16,17)