3-(bromomethyl)-5,6-dihydrobenzo[b][1]benzothiepine-9-carbonitrile

Systemtic Name: 3-(bromomethyl)-5,6-dihydrobenzo[b][1]benzothiepine-9-carbonitrile Openeye Name: 3-(bromomethyl)-5,6-dihydrobenzo[b][1]benzothiepine-9-carbonitrile CAS Name: 3-(bromomethyl)-5,6-dihydrobenzo[b][1]benzothiepin-9-carbonitrile IUPAC Name: 3-(bromomethyl)-5,6-dihydrobenzo[b][1]benzothiepine-9-carbonitrile Traditional Name: 3-(bromomethyl)-5,6-dihydrobenzo[b][1]benzothiepin-9-carbonitrile Formula: C16H12BrNS MolecularWeight: 330.24218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrNS/c17-9-11-2-6-15-14(7-11)5-4-13-3-1-12(10-18)8-16(13)19-15/h1-3,6-8H,4-5,9H2