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

Systemtic Name: 3-[3-(2-methylsulfanylethyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Openeye Name: 3-[3-(2-methylsulfanylethyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid CAS Name: 3-[3-[2-(methylthio)ethyl]-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 3-[3-(2-methylsulfanylethyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Traditional Name: 3-[3-[2-(methylthio)ethyl]-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Formula: C15H17N3O2S MolecularWeight: 303.37938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC1=C2CCN=C2N(N1)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CSCCC1=C2CCN=C2N(N1)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C15H17N3O2S/c1-21-8-6-13-12-5-7-16-14(12)18(17-13)11-4-2-3-10(9-11)15(19)20/h2-4,9,17H,5-8H2,1H3,(H,19,20)