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

Systemtic Name: 3-methanoyl-5,6-dihydrobenzo[b][1]benzothiepine-9-carbonitrile Openeye Name: 3-formyl-5,6-dihydrobenzo[b][1]benzothiepine-9-carbonitrile CAS Name: 3-formyl-5,6-dihydrobenzo[b][1]benzothiepin-9-carbonitrile IUPAC Name: 3-formyl-5,6-dihydrobenzo[b][1]benzothiepine-9-carbonitrile Traditional Name: 3-formyl-5,6-dihydrobenzo[b][1]benzothiepin-9-carbonitrile Formula: C16H11NOS MolecularWeight: 265.32964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C=O)SC3=C1C=CC(=C3)C#N

Isomeric SMILES

C1CC2=C(C=CC(=C2)C=O)SC3=C1C=CC(=C3)C#N

InChI

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