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

Systemtic Name: potassium 3-[4,6-bis(fluoranyl)-2,3-dihydro-1H-inden-1-yl]-2-sulfanylidene-1H-imidazole-4-carboxylate Openeye Name: potassium 3-(4,6-difluoroindan-1-yl)-2-thioxo-1H-imidazole-4-carboxylate CAS Name: potassium 3-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-2-sulfanylidene-1H-imidazole-4-carboxylate IUPAC Name: potassium 3-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-2-sulfanylidene-1H-imidazole-4-carboxylate Traditional Name: potassium 3-(4,6-difluoroindan-1-yl)-2-thioxo-4-imidazoline-4-carboxylate Formula: C13H9F2KN2O2S MolecularWeight: 334.382866

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2C1N3C(=CNC3=S)C(=O)[O-])F)F.[K+]

Isomeric SMILES

C1CC2=C(C=C(C=C2C1N3C(=CNC3=S)C(=O)[O-])F)F.[K+]

InChI

InChI=1S/C13H10F2N2O2S.K/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);/q;+1/p-1