[4-bromanyl-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl] 2-phenylsulfanylpropanoate

Systemtic Name: [4-bromanyl-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl] 2-phenylsulfanylpropanoate Openeye Name: [4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl] 2-phenylsulfanylpropanoate CAS Name: 2-(phenylthio)propanoic acid [4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)-1-pyrrolyl] ester IUPAC Name: [4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl] 2-phenylsulfanylpropanoate Traditional Name: 2-(phenylthio)propionic acid [4-bromo-2-(4-chlorophenyl)-3-cyano-5-(trifluoromethyl)pyrrol-1-yl] ester Formula: C21H13BrClF3N2O2S MolecularWeight: 529.75733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)ON1C(=C(C(=C1C(F)(F)F)Br)C#N)C2=CC=C(C=C2)Cl)SC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)ON1C(=C(C(=C1C(F)(F)F)Br)C#N)C2=CC=C(C=C2)Cl)SC3=CC=CC=C3

InChI

InChI=1S/C21H13BrClF3N2O2S/c1-12(31-15-5-3-2-4-6-15)20(29)30-28-18(13-7-9-14(23)10-8-13)16(11-27)17(22)19(28)21(24,25)26/h2-10,12H,1H3