11-(3-bromanylpropyl)-6H-benzo[c][1]benzothiepine-11-carbonitrile

Systemtic Name: 11-(3-bromanylpropyl)-6H-benzo[c][1]benzothiepine-11-carbonitrile Openeye Name: 11-(3-bromopropyl)-6H-benzo[c][1]benzothiepine-11-carbonitrile CAS Name: 11-(3-bromopropyl)-6H-benzo[c][1]benzothiepin-11-carbonitrile IUPAC Name: 11-(3-bromopropyl)-6H-benzo[c][1]benzothiepine-11-carbonitrile Traditional Name: 11-(3-bromopropyl)-6H-benzo[c][1]benzothiepin-11-carbonitrile Formula: C18H16BrNS MolecularWeight: 358.29534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(C3=CC=CC=C3S1)(CCCBr)C#N

Isomeric SMILES

C1C2=CC=CC=C2C(C3=CC=CC=C3S1)(CCCBr)C#N

InChI

InChI=1S/C18H16BrNS/c19-11-5-10-18(13-20)15-7-2-1-6-14(15)12-21-17-9-4-3-8-16(17)18/h1-4,6-9H,5,10-12H2