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

Systemtic Name: 5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2,5-dimethyl-1-(4-nitrophenyl)-3-pyrrolyl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O4S/c1-10-8-12(9-15-16(23)19-18(27)20(3)17(15)24)11(2)21(10)13-4-6-14(7-5-13)22(25)26/h4-9H,1-3H3,(H,19,23,27)