N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-5-(4-methylsulfanylphenyl)-2-(trifluoromethyloxy)benzamide

Systemtic Name: N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-5-(4-methylsulfanylphenyl)-2-(trifluoromethyloxy)benzamide Openeye Name: N-[1-(cyanomethyl)-2-(1H-indol-3-yl)ethyl]-5-(4-methylsulfanylphenyl)-2-(trifluoromethoxy)benzamide CAS Name: N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-5-[4-(methylthio)phenyl]-2-(trifluoromethoxy)benzamide IUPAC Name: N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-5-(4-methylsulfanylphenyl)-2-(trifluoromethoxy)benzamide Traditional Name: N-[1-(cyanomethyl)-2-(1H-indol-3-yl)ethyl]-5-[4-(methylthio)phenyl]-2-(trifluoromethoxy)benzamide Formula: C27H22F3N3O2S MolecularWeight: 509.54269

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(F)(F)F)C(=O)NC(CC#N)CC3=CNC4=CC=CC=C43

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(F)(F)F)C(=O)NC(CC#N)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C27H22F3N3O2S/c1-36-21-9-6-17(7-10-21)18-8-11-25(35-27(28,29)30)23(15-18)26(34)33-20(12-13-31)14-19-16-32-24-5-3-2-4-22(19)24/h2-11,15-16,20,32H,12,14H2,1H3,(H,33,34)