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(6-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 3-(trifluoromethyl)benzoate

(6-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 3-(trifluoromethyl)benzoate

Systemtic Name:(6-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 3-(trifluoromethyl)benzoate
Openeye Name:(6-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 3-(trifluoromethyl)benzoate
CAS Name:3-(trifluoromethyl)benzoic acid [6-(methylthio)-2,3,4,9-tetrahydro-1H-carbazol-3-yl] ester
IUPAC Name:(6-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 3-(trifluoromethyl)benzoate
Traditional Name:3-(trifluoromethyl)benzoic acid [6-(methylthio)-2,3,4,9-tetrahydro-1H-carbazol-3-yl] ester
Formula: C21H18F3NO2S
MolecularWeight: 405.43333
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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)NC3=C2CC(CC3)OC(=O)C4=CC(=CC=C4)C(F)(F)F


Isomeric SMILES

CSC1=CC2=C(C=C1)NC3=C2CC(CC3)OC(=O)C4=CC(=CC=C4)C(F)(F)F


InChI

InChI=1S/C21H18F3NO2S/c1-28-15-6-8-19-17(11-15)16-10-14(5-7-18(16)25-19)27-20(26)12-3-2-4-13(9-12)21(22,23)24/h2-4,6,8-9,11,14,25H,5,7,10H2,1H3


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