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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2SC3=CC=CC=C31)C#N

Isomeric SMILES

C1C(C2=CC=CC=C2SC3=CC=CC=C31)C#N

InChI

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