5-[[1-(4-bromanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione

Systemtic Name: 5-[[1-(4-bromanyl-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione Openeye Name: 5-[[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-3-prop-2-ynyl-thiazolidine-2,4-dione CAS Name: 5-[[1-(4-bromo-3-methylphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-3-prop-2-ynylthiazolidine-2,4-dione IUPAC Name: 5-[[1-(4-bromo-3-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione Traditional Name: 5-[[1-(4-bromo-3-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-3-propargyl-thiazolidine-2,4-quinone Formula: C20H17BrN2O2S MolecularWeight: 429.33018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)Br)C)C)C=C3C(=O)N(C(=O)S3)CC#C

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)Br)C)C)C=C3C(=O)N(C(=O)S3)CC#C

InChI

InChI=1S/C20H17BrN2O2S/c1-5-8-22-19(24)18(26-20(22)25)11-15-10-13(3)23(14(15)4)16-6-7-17(21)12(2)9-16/h1,6-7,9-11H,8H2,2-4H3