2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethanenitrile

Systemtic Name: 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)ethanenitrile Openeye Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetonitrile CAS Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetonitrile IUPAC Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)acetonitrile Traditional Name: 2-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)acetonitrile Formula: C16H11NOS MolecularWeight: 265.32964

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)CC#N

Isomeric SMILES

C1C2=CC=CC=C2C(=O)C3=C(S1)C=C(C=C3)CC#N

InChI

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