5-[[1-(4-bromanyl-3-chloranyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[1-(4-bromanyl-3-chloranyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-allyl-5-[[1-(4-bromo-3-chloro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-(4-bromo-3-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-(4-bromo-3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-[[1-(4-bromo-3-chloro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H17BrClN3O2S MolecularWeight: 478.78988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)Br)Cl)C)C=C3C(=O)NC(=S)N(C3=O)CC=C

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)Br)Cl)C)C=C3C(=O)NC(=S)N(C3=O)CC=C

InChI

InChI=1S/C20H17BrClN3O2S/c1-4-7-24-19(27)15(18(26)23-20(24)28)9-13-8-11(2)25(12(13)3)14-5-6-16(21)17(22)10-14/h4-6,8-10H,1,7H2,2-3H3,(H,23,26,28)