4-[3-(2-methylsulfanylphenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[3-(2-methylsulfanylphenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Openeye Name: 4-[3-(2-methylsulfanylphenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid CAS Name: 4-[3-[2-(methylthio)phenyl]-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 4-[3-(2-methylsulfanylphenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Traditional Name: 4-[3-[2-(methylthio)phenyl]-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Formula: C19H17N3O2S MolecularWeight: 351.42218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C2=C3CCN=C3N(N2)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CSC1=CC=CC=C1C2=C3CCN=C3N(N2)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C19H17N3O2S/c1-25-16-5-3-2-4-14(16)17-15-10-11-20-18(15)22(21-17)13-8-6-12(7-9-13)19(23)24/h2-9,21H,10-11H2,1H3,(H,23,24)