1-[2-[2,6-bis(fluoranyl)phenyl]ethyl]imidazol-1-ium-1-carbothioamide

Systemtic Name: 1-[2-[2,6-bis(fluoranyl)phenyl]ethyl]imidazol-1-ium-1-carbothioamide Openeye Name: 1-[2-(2,6-difluorophenyl)ethyl]imidazol-1-ium-1-carbothioamide CAS Name: 1-[2-(2,6-difluorophenyl)ethyl]-1-imidazol-1-iumcarbothioamide IUPAC Name: 1-[2-(2,6-difluorophenyl)ethyl]imidazol-1-ium-1-carbothioamide Traditional Name: 1-[2-(2,6-difluorophenyl)ethyl]imidazol-1-ium-1-carbothioamide Formula: C12H12F2N3S+ MolecularWeight: 268.305586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)CC[N+]2(C=CN=C2)C(=S)N)F

Isomeric SMILES

C1=CC(=C(C(=C1)F)CC[N+]2(C=CN=C2)C(=S)N)F

InChI

InChI=1S/C12H11F2N3S/c13-10-2-1-3-11(14)9(10)4-6-17(12(15)18)7-5-16-8-17/h1-3,5,7-8H,4,6H2,(H-,15,18)/p+1