3-(2-bromanyl-4-ethylsulfanyl-phenyl)-2-chloranyl-5-nitro-4-(trifluoromethyl)-1H-pyrrole

Systemtic Name: 3-(2-bromanyl-4-ethylsulfanyl-phenyl)-2-chloranyl-5-nitro-4-(trifluoromethyl)-1H-pyrrole Openeye Name: 3-(2-bromo-4-ethylsulfanyl-phenyl)-2-chloro-5-nitro-4-(trifluoromethyl)-1H-pyrrole CAS Name: 3-[2-bromo-4-(ethylthio)phenyl]-2-chloro-5-nitro-4-(trifluoromethyl)-1H-pyrrole IUPAC Name: 3-(2-bromo-4-ethylsulfanylphenyl)-2-chloro-5-nitro-4-(trifluoromethyl)-1H-pyrrole Traditional Name: 3-[2-bromo-4-(ethylthio)phenyl]-2-chloro-5-nitro-4-(trifluoromethyl)-1H-pyrrole Formula: C13H9BrClF3N2O2S MolecularWeight: 429.63997

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=C(C=C1)C2=C(NC(=C2C(F)(F)F)[N+](=O)[O-])Cl)Br

Isomeric SMILES

CCSC1=CC(=C(C=C1)C2=C(NC(=C2C(F)(F)F)[N+](=O)[O-])Cl)Br

InChI

InChI=1S/C13H9BrClF3N2O2S/c1-2-23-6-3-4-7(8(14)5-6)9-10(13(16,17)18)12(20(21)22)19-11(9)15/h3-5,19H,2H2,1H3