10-methanoyl-5,6-dihydrobenzo[b][1]benzothiepine-2-carbonitrile

Systemtic Name: 10-methanoyl-5,6-dihydrobenzo[b][1]benzothiepine-2-carbonitrile Openeye Name: 10-formyl-5,6-dihydrobenzo[b][1]benzothiepine-2-carbonitrile CAS Name: 10-formyl-5,6-dihydrobenzo[b][1]benzothiepin-2-carbonitrile IUPAC Name: 10-formyl-5,6-dihydrobenzo[b][1]benzothiepine-2-carbonitrile Traditional Name: 10-formyl-5,6-dihydrobenzo[b][1]benzothiepin-2-carbonitrile Formula: C16H11NOS MolecularWeight: 265.32964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC(=C2SC3=C1C=CC(=C3)C#N)C=O

Isomeric SMILES

C1CC2=CC=CC(=C2SC3=C1C=CC(=C3)C#N)C=O

InChI

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