5-(4-methylphenyl)-6-oxidanylidene-benzo[b][1,4]benzothiazepine-2,3-dicarbonitrile

Systemtic Name: 5-(4-methylphenyl)-6-oxidanylidene-benzo[b][1,4]benzothiazepine-2,3-dicarbonitrile Openeye Name: 6-oxo-5-(p-tolyl)benzo[b][1,4]benzothiazepine-2,3-dicarbonitrile CAS Name: 5-(4-methylphenyl)-6-oxobenzo[b][1,4]benzothiazepine-2,3-dicarbonitrile IUPAC Name: 5-(4-methylphenyl)-6-oxobenzo[b][1,4]benzothiazepine-2,3-dicarbonitrile Traditional Name: 6-keto-5-(p-tolyl)benzo[b][1,4]benzothiazepine-2,3-dicarbonitrile Formula: C22H13N3OS MolecularWeight: 367.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=C(C(=C3)C#N)C#N)SC4=CC=CC=C4C2=O

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=C(C(=C3)C#N)C#N)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C22H13N3OS/c1-14-6-8-17(9-7-14)25-19-10-15(12-23)16(13-24)11-21(19)27-20-5-3-2-4-18(20)22(25)26/h2-11H,1H3