3-[4,6-bis(fluoranyl)-2,3-dihydro-1H-inden-1-yl]-2-sulfanylidene-1H-imidazole-4-carboxylic acid

Systemtic Name: 3-[4,6-bis(fluoranyl)-2,3-dihydro-1H-inden-1-yl]-2-sulfanylidene-1H-imidazole-4-carboxylic acid Openeye Name: 3-(4,6-difluoroindan-1-yl)-2-thioxo-1H-imidazole-4-carboxylic acid CAS Name: 3-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-2-sulfanylidene-1H-imidazole-4-carboxylic acid IUPAC Name: 3-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-2-sulfanylidene-1H-imidazole-4-carboxylic acid Traditional Name: 3-(4,6-difluoroindan-1-yl)-2-thioxo-4-imidazoline-4-carboxylic acid Formula: C13H10F2N2O2S MolecularWeight: 296.292506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2C1N3C(=CNC3=S)C(=O)O)F)F

Isomeric SMILES

C1CC2=C(C=C(C=C2C1N3C(=CNC3=S)C(=O)O)F)F

InChI

InChI=1S/C13H10F2N2O2S/c14-6-3-8-7(9(15)4-6)1-2-10(8)17-11(12(18)19)5-16-13(17)20/h3-5,10H,1-2H2,(H,16,20)(H,18,19)