5,6-dimethyl-3-(trifluoromethyl)benzo[b][1]benzothiepine

Systemtic Name: 5,6-dimethyl-3-(trifluoromethyl)benzo[b][1]benzothiepine Openeye Name: 5,6-dimethyl-3-(trifluoromethyl)benzo[b][1]benzothiepine CAS Name: 5,6-dimethyl-3-(trifluoromethyl)benzo[b][1]benzothiepin IUPAC Name: 5,6-dimethyl-3-(trifluoromethyl)benzo[b][1]benzothiepine Traditional Name: 5,6-dimethyl-3-(trifluoromethyl)benzo[b][1]benzothiepin Formula: C17H13F3S MolecularWeight: 306.34533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC(=C2)C(F)(F)F)SC3=CC=CC=C13)C

Isomeric SMILES

CC1=C(C2=C(C=CC(=C2)C(F)(F)F)SC3=CC=CC=C13)C

InChI

InChI=1S/C17H13F3S/c1-10-11(2)14-9-12(17(18,19)20)7-8-16(14)21-15-6-4-3-5-13(10)15/h3-9H,1-2H3