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

Systemtic Name: 5-[[2,5-dimethyl-1-(2-methyl-5-nitro-phenyl)pyrrol-3-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[2,5-dimethyl-1-(2-methyl-5-nitro-phenyl)pyrrol-3-yl]methylene]-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-3-pyrrolyl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)pyrrol-3-yl]methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[2,5-dimethyl-1-(2-methyl-5-nitro-phenyl)pyrrol-3-yl]methylene]-1,3-dimethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=CC(=C2C)C=C3C(=O)N(C(=S)N(C3=O)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=CC(=C2C)C=C3C(=O)N(C(=S)N(C3=O)C)C)C

InChI

InChI=1S/C20H20N4O4S/c1-11-6-7-15(24(27)28)10-17(11)23-12(2)8-14(13(23)3)9-16-18(25)21(4)20(29)22(5)19(16)26/h6-10H,1-5H3