3-ethanoyl-5,6-dihydrobenzo[b][1]benzothiepine-9-carbonitrile

Systemtic Name: 3-ethanoyl-5,6-dihydrobenzo[b][1]benzothiepine-9-carbonitrile Openeye Name: 3-acetyl-5,6-dihydrobenzo[b][1]benzothiepine-9-carbonitrile CAS Name: 3-acetyl-5,6-dihydrobenzo[b][1]benzothiepin-9-carbonitrile IUPAC Name: 3-acetyl-5,6-dihydrobenzo[b][1]benzothiepine-9-carbonitrile Traditional Name: 3-acetyl-5,6-dihydrobenzo[b][1]benzothiepin-9-carbonitrile Formula: C17H13NOS MolecularWeight: 279.35622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)SC3=C(CC2)C=CC(=C3)C#N

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)SC3=C(CC2)C=CC(=C3)C#N

InChI

InChI=1S/C17H13NOS/c1-11(19)14-6-7-16-15(9-14)5-4-13-3-2-12(10-18)8-17(13)20-16/h2-3,6-9H,4-5H2,1H3