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

Systemtic Name: 4-[3-(methylsulfanylmethyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Openeye Name: 4-[3-(methylsulfanylmethyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid CAS Name: 4-[3-[(methylthio)methyl]-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 4-[3-(methylsulfanylmethyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazol-1-yl]benzoic acid Traditional Name: 4-[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=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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