6-oxidanylidene-5-phenyl-benzo[b][1,4]benzothiazepine-2,3-dicarbonitrile

Systemtic Name: 6-oxidanylidene-5-phenyl-benzo[b][1,4]benzothiazepine-2,3-dicarbonitrile Openeye Name: 6-oxo-5-phenyl-benzo[b][1,4]benzothiazepine-2,3-dicarbonitrile CAS Name: 6-oxo-5-phenylbenzo[b][1,4]benzothiazepine-2,3-dicarbonitrile IUPAC Name: 6-oxo-5-phenylbenzo[b][1,4]benzothiazepine-2,3-dicarbonitrile Traditional Name: 6-keto-5-phenyl-benzo[b][1,4]benzothiazepine-2,3-dicarbonitrile Formula: C21H11N3OS MolecularWeight: 353.39654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=C(C(=C3)C#N)C#N)SC4=CC=CC=C4C2=O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=C(C(=C3)C#N)C#N)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C21H11N3OS/c22-12-14-10-18-20(11-15(14)13-23)26-19-9-5-4-8-17(19)21(25)24(18)16-6-2-1-3-7-16/h1-11H