2-[[3-(4-ethylphenyl)-1-methyl-pyrazol-4-yl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[3-(4-ethylphenyl)-1-methyl-pyrazol-4-yl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[3-(4-ethylphenyl)-1-methyl-pyrazol-4-yl]methylsulfanyl]acetic acid CAS Name: 2-[[3-(4-ethylphenyl)-1-methyl-4-pyrazolyl]methylthio]acetic acid IUPAC Name: 2-[[3-(4-ethylphenyl)-1-methylpyrazol-4-yl]methylsulfanyl]acetic acid Traditional Name: 2-[[3-(4-ethylphenyl)-1-methyl-pyrazol-4-yl]methylthio]acetic acid Formula: C15H18N2O2S MolecularWeight: 290.38062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C=C2CSCC(=O)O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C=C2CSCC(=O)O)C

InChI

InChI=1S/C15H18N2O2S/c1-3-11-4-6-12(7-5-11)15-13(8-17(2)16-15)9-20-10-14(18)19/h4-8H,3,9-10H2,1-2H3,(H,18,19)