4-[(4,5-dihydro-1,3-thiazol-3-ium-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione

Systemtic Name: 4-[(4,5-dihydro-1,3-thiazol-3-ium-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione Openeye Name: 4-[(4,5-dihydrothiazol-3-ium-2-ylamino)methylene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione CAS Name: 4-[(4,5-dihydrothiazol-3-ium-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione IUPAC Name: 4-[(4,5-dihydro-1,3-thiazol-3-ium-2-ylamino)methylidene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-dione Traditional Name: 4-[(2-thiazolin-3-ium-2-ylamino)methylene]-2-[2-(trifluoromethyl)phenyl]isoquinoline-1,3-quinone Formula: C20H15F3N3O2S+ MolecularWeight: 418.41221

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=[NH+]1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CSC(=[NH+]1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C20H14F3N3O2S/c21-20(22,23)15-7-3-4-8-16(15)26-17(27)13-6-2-1-5-12(13)14(18(26)28)11-25-19-24-9-10-29-19/h1-8,11H,9-10H2,(H,24,25)/p+1