3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepine-7-carbonitrile

Systemtic Name: 3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepine-7-carbonitrile Openeye Name: 3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepine-7-carbonitrile CAS Name: 3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-7-carbonitrile IUPAC Name: 3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepine-7-carbonitrile Traditional Name: 3-(trifluoromethyl)-5,6-dihydrobenzo[b][1]benzothiepin-7-carbonitrile Formula: C16H10F3NS MolecularWeight: 305.31751

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2SC3=C1C=C(C=C3)C(F)(F)F)C#N

Isomeric SMILES

C1CC2=C(C=CC=C2SC3=C1C=C(C=C3)C(F)(F)F)C#N

InChI

InChI=1S/C16H10F3NS/c17-16(18,19)12-5-7-14-10(8-12)4-6-13-11(9-20)2-1-3-15(13)21-14/h1-3,5,7-8H,4,6H2