1-[1-(3-bromanyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]ethanone

Systemtic Name: 1-[1-(3-bromanyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]ethanone Openeye Name: 1-[1-(3-bromo-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]ethanone CAS Name: 1-[1-(3-bromo-4-methylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]ethanone IUPAC Name: 1-[1-(3-bromo-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]ethanone Traditional Name: 1-[1-(3-bromo-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]ethanone Formula: C24H23BrN2O5S MolecularWeight: 531.41882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CSCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CSCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C)Br

InChI

InChI=1S/C24H23BrN2O5S/c1-14-4-5-19(9-22(14)25)26-15(2)6-21(16(26)3)23(28)12-33-11-18-8-20(27(29)30)7-17-10-31-13-32-24(17)18/h4-9H,10-13H2,1-3H3