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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C(=C3)C#N)C#N)SC4=CC=CC=C4C2=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C(=C3)C#N)C#N)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C22H13N3OS/c23-12-16-10-19-21(11-17(16)13-24)27-20-9-5-4-8-18(20)22(26)25(19)14-15-6-2-1-3-7-15/h1-11H,14H2