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

Systemtic Name: 3-[4,6-bis(fluoranyl)-2,3-dihydro-1H-inden-2-yl]-2-sulfanylidene-1H-imidazole-4-carboxylic acid Openeye Name: 3-(4,6-difluoroindan-2-yl)-2-thioxo-1H-imidazole-4-carboxylic acid CAS Name: 3-(4,6-difluoro-2,3-dihydro-1H-inden-2-yl)-2-sulfanylidene-1H-imidazole-4-carboxylic acid IUPAC Name: 3-(4,6-difluoro-2,3-dihydro-1H-inden-2-yl)-2-sulfanylidene-1H-imidazole-4-carboxylic acid Traditional Name: 3-(4,6-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=C(C=C(C=C21)F)F)N3C(=CNC3=S)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H10F2N2O2S/c14-7-1-6-2-8(4-9(6)10(15)3-7)17-11(12(18)19)5-16-13(17)20/h1,3,5,8H,2,4H2,(H,16,20)(H,18,19)