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

Systemtic Name: 5,6-dihydrobenzo[b][1]benzothiepine-2-carbonitrile Openeye Name: 5,6-dihydrobenzo[b][1]benzothiepine-2-carbonitrile CAS Name: 5,6-dihydrobenzo[b][1]benzothiepin-2-carbonitrile IUPAC Name: 5,6-dihydrobenzo[b][1]benzothiepine-2-carbonitrile Traditional Name: 5,6-dihydrobenzo[b][1]benzothiepin-2-carbonitrile Formula: C15H11NS MolecularWeight: 237.31954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11NS/c16-10-11-5-6-13-8-7-12-3-1-2-4-14(12)17-15(13)9-11/h1-6,9H,7-8H2