2-(5-oxidanylidene-6H-benzo[b][1]benzothiepin-2-yl)ethanenitrile

Systemtic Name: 2-(5-oxidanylidene-6H-benzo[b][1]benzothiepin-2-yl)ethanenitrile Openeye Name: 2-(5-oxo-6H-benzo[b][1]benzothiepin-2-yl)acetonitrile CAS Name: 2-(5-oxo-6H-benzo[b][1]benzothiepin-2-yl)acetonitrile IUPAC Name: 2-(5-oxo-6H-benzo[b][1]benzothiepin-2-yl)acetonitrile Traditional Name: 2-(5-keto-6H-benzo[b][1]benzothiepin-2-yl)acetonitrile Formula: C16H11NOS MolecularWeight: 265.32964

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2SC3=C(C1=O)C=CC(=C3)CC#N

Isomeric SMILES

C1C2=CC=CC=C2SC3=C(C1=O)C=CC(=C3)CC#N

InChI

InChI=1S/C16H11NOS/c17-8-7-11-5-6-13-14(18)10-12-3-1-2-4-15(12)19-16(13)9-11/h1-6,9H,7,10H2