N-[4,6-bis(fluoranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[4,6-bis(fluoranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenyl-quinoline-4-carboxamide CAS Name: N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide Traditional Name: N-(4,6-difluoro-3-propargyl-1,3-benzothiazol-2-ylidene)-2-phenyl-cinchoninamide Formula: C26H15F2N3OS MolecularWeight: 455.478606

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)F)F

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)F)F

InChI

InChI=1S/C26H15F2N3OS/c1-2-12-31-24-20(28)13-17(27)14-23(24)33-26(31)30-25(32)19-15-22(16-8-4-3-5-9-16)29-21-11-7-6-10-18(19)21/h1,3-11,13-15H,12H2