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

Systemtic Name: 5-[[1-(4-chloranyl-3-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[1-(4-chloro-3-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-(4-chloro-3-nitrophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-(4-chloro-3-nitrophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[1-(4-chloro-3-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H15ClN4O4S MolecularWeight: 418.8541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN4O4S/c1-9-6-11(7-13-16(24)20-18(28)21(3)17(13)25)10(2)22(9)12-4-5-14(19)15(8-12)23(26)27/h4-8H,1-3H3,(H,20,24,28)