5-[4-(trifluoromethyl)phenyl]-1,2,4,5-tetrahydro-3-benzothiepine

Systemtic Name: 5-[4-(trifluoromethyl)phenyl]-1,2,4,5-tetrahydro-3-benzothiepine Openeye Name: 5-[4-(trifluoromethyl)phenyl]-1,2,4,5-tetrahydro-3-benzothiepine CAS Name: 5-[4-(trifluoromethyl)phenyl]-1,2,4,5-tetrahydro-3-benzothiepin IUPAC Name: 5-[4-(trifluoromethyl)phenyl]-1,2,4,5-tetrahydro-3-benzothiepine Traditional Name: 5-[4-(trifluoromethyl)phenyl]-1,2,4,5-tetrahydro-3-benzothiepin Formula: C17H15F3S MolecularWeight: 308.36121

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(C2=CC=CC=C21)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CSCC(C2=CC=CC=C21)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H15F3S/c18-17(19,20)14-7-5-13(6-8-14)16-11-21-10-9-12-3-1-2-4-15(12)16/h1-8,16H,9-11H2