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

Systemtic Name: 3-[3-(methylsulfanylmethyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Openeye Name: 3-[3-(methylsulfanylmethyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid CAS Name: 3-[3-[(methylthio)methyl]-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 3-[3-(methylsulfanylmethyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Traditional Name: 3-[3-[(methylthio)methyl]-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Formula: C14H15N3O2S MolecularWeight: 289.3528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C2CCN=C2N(N1)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CSCC1=C2CCN=C2N(N1)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C14H15N3O2S/c1-20-8-12-11-5-6-15-13(11)17(16-12)10-4-2-3-9(7-10)14(18)19/h2-4,7,16H,5-6,8H2,1H3,(H,18,19)