5-chloranyl-9-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepine-3-carbonitrile

Systemtic Name: 5-chloranyl-9-fluoranyl-5,6-dihydrobenzo[b][1]benzothiepine-3-carbonitrile Openeye Name: 5-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepine-3-carbonitrile CAS Name: 5-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-3-carbonitrile IUPAC Name: 5-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepine-3-carbonitrile Traditional Name: 5-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-3-carbonitrile Formula: C15H9ClFNS MolecularWeight: 289.755063

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(C=CC(=C2)C#N)SC3=C1C=CC(=C3)F)Cl

Isomeric SMILES

C1C(C2=C(C=CC(=C2)C#N)SC3=C1C=CC(=C3)F)Cl

InChI

InChI=1S/C15H9ClFNS/c16-13-6-10-2-3-11(17)7-15(10)19-14-4-1-9(8-18)5-12(13)14/h1-5,7,13H,6H2