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

Systemtic Name: 5-[[2,5-dimethyl-1-(2-methyl-4-nitro-phenyl)pyrrol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-allyl-5-[[2,5-dimethyl-1-(2-methyl-4-nitro-phenyl)pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)-3-pyrrolyl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)pyrrol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-[[2,5-dimethyl-1-(2-methyl-4-nitro-phenyl)pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=C(C=C2)[N+](=O)[O-])C)C)C=C3C(=O)NC(=S)N(C3=O)CC=C

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=C(C=C2)[N+](=O)[O-])C)C)C=C3C(=O)NC(=S)N(C3=O)CC=C

InChI

InChI=1S/C21H20N4O4S/c1-5-8-23-20(27)17(19(26)22-21(23)30)11-15-10-13(3)24(14(15)4)18-7-6-16(25(28)29)9-12(18)2/h5-7,9-11H,1,8H2,2-4H3,(H,22,26,30)