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

Systemtic Name: 3-[(1-methyl-3-phenyl-pyrazol-4-yl)methylsulfanyl]propanoate Openeye Name: 3-[(1-methyl-3-phenyl-pyrazol-4-yl)methylsulfanyl]propanoate CAS Name: 3-[(1-methyl-3-phenyl-4-pyrazolyl)methylthio]propanoate IUPAC Name: 3-[(1-methyl-3-phenylpyrazol-4-yl)methylsulfanyl]propanoate Traditional Name: 3-[(1-methyl-3-phenyl-pyrazol-4-yl)methylthio]propionate Formula: C14H15N2O2S- MolecularWeight: 275.3461

Click to see the large picture

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)/p-1