3-[5,6-bis(fluoranyl)-2,3-dihydro-1H-inden-2-yl]-2-sulfanylidene-1H-imidazole-4-carboxylic acid

Systemtic Name: 3-[5,6-bis(fluoranyl)-2,3-dihydro-1H-inden-2-yl]-2-sulfanylidene-1H-imidazole-4-carboxylic acid Openeye Name: 3-(5,6-difluoroindan-2-yl)-2-thioxo-1H-imidazole-4-carboxylic acid CAS Name: 3-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-2-sulfanylidene-1H-imidazole-4-carboxylic acid IUPAC Name: 3-(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)-2-sulfanylidene-1H-imidazole-4-carboxylic acid Traditional Name: 3-(5,6-difluoroindan-2-yl)-2-thioxo-4-imidazoline-4-carboxylic acid Formula: C13H10F2N2O2S MolecularWeight: 296.292506

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC2=CC(=C(C=C21)F)F)N3C(=CNC3=S)C(=O)O

Isomeric SMILES

C1C(CC2=CC(=C(C=C21)F)F)N3C(=CNC3=S)C(=O)O

InChI

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