5,6-dihydrobenzo[b][1]benzazepin-11-yl(isothiocyanato)methanone

Systemtic Name: 5,6-dihydrobenzo[b][1]benzazepin-11-yl(isothiocyanato)methanone Openeye Name: 5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl isothiocyanate CAS Name: 5,6-dihydrobenzo[b][1]benzazepin-11-yl(isothiocyanato)methanone IUPAC Name: 5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl isothiocyanate Traditional Name: 5,6-dihydrobenzo[b][1]benzazepin-11-yl(isothiocyanato)methanone Formula: C16H12N2OS MolecularWeight: 280.34428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N=C=S

Isomeric SMILES

C1CC2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N=C=S

InChI

InChI=1S/C16H12N2OS/c19-16(17-11-20)18-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)18/h1-8H,9-10H2