3-fluoranyl-5-(2-oxidanylidene-5,5-dithiophen-2-yl-1H-4,1-benzoxazepin-7-yl)benzenecarbonitrile

Systemtic Name: 3-fluoranyl-5-(2-oxidanylidene-5,5-dithiophen-2-yl-1H-4,1-benzoxazepin-7-yl)benzenecarbonitrile Openeye Name: 3-fluoro-5-[2-oxo-5,5-bis(2-thienyl)-1H-4,1-benzoxazepin-7-yl]benzonitrile CAS Name: 3-fluoro-5-(2-oxo-5,5-dithiophen-2-yl-1H-4,1-benzoxazepin-7-yl)benzonitrile IUPAC Name: 3-fluoro-5-(2-oxo-5,5-dithiophen-2-yl-1H-4,1-benzoxazepin-7-yl)benzonitrile Traditional Name: 3-fluoro-5-[2-keto-5,5-bis(2-thienyl)-1H-4,1-benzoxazepin-7-yl]benzonitrile Formula: C24H15FN2O2S2 MolecularWeight: 446.516503

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=C(C=C2)C3=CC(=CC(=C3)C#N)F)C(O1)(C4=CC=CS4)C5=CC=CS5

Isomeric SMILES

C1C(=O)NC2=C(C=C(C=C2)C3=CC(=CC(=C3)C#N)F)C(O1)(C4=CC=CS4)C5=CC=CS5

InChI

InChI=1S/C24H15FN2O2S2/c25-18-10-15(13-26)9-17(11-18)16-5-6-20-19(12-16)24(21-3-1-7-30-21,22-4-2-8-31-22)29-14-23(28)27-20/h1-12H,14H2,(H,27,28)