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5-ethynyl-3-(trifluoromethyl)benzo[b][1]benzothiepine

5-ethynyl-3-(trifluoromethyl)benzo[b][1]benzothiepine

Systemtic Name:5-ethynyl-3-(trifluoromethyl)benzo[b][1]benzothiepine
Openeye Name:5-ethynyl-3-(trifluoromethyl)benzo[b][1]benzothiepine
CAS Name:5-ethynyl-3-(trifluoromethyl)benzo[b][1]benzothiepin
IUPAC Name:5-ethynyl-3-(trifluoromethyl)benzo[b][1]benzothiepine
Traditional Name:5-ethynyl-3-(trifluoromethyl)benzo[b][1]benzothiepin
Formula: C17H9F3S
MolecularWeight: 302.31357
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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F


Isomeric SMILES

C#CC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F


InChI

InChI=1S/C17H9F3S/c1-2-11-9-12-5-3-4-6-15(12)21-16-8-7-13(10-14(11)16)17(18,19)20/h1,3-10H


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