10-(bromomethyl)-5,6-dihydrobenzo[b][1]benzothiepine-2-carbonitrile

Systemtic Name: 10-(bromomethyl)-5,6-dihydrobenzo[b][1]benzothiepine-2-carbonitrile Openeye Name: 10-(bromomethyl)-5,6-dihydrobenzo[b][1]benzothiepine-2-carbonitrile CAS Name: 10-(bromomethyl)-5,6-dihydrobenzo[b][1]benzothiepin-2-carbonitrile IUPAC Name: 10-(bromomethyl)-5,6-dihydrobenzo[b][1]benzothiepine-2-carbonitrile Traditional Name: 10-(bromomethyl)-5,6-dihydrobenzo[b][1]benzothiepin-2-carbonitrile Formula: C16H12BrNS MolecularWeight: 330.24218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)C#N)SC3=C1C=CC=C3CBr

Isomeric SMILES

C1CC2=C(C=C(C=C2)C#N)SC3=C1C=CC=C3CBr

InChI

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