(5E)-1-(3,4-dimethylphenyl)-5-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5E)-1-(3,4-dimethylphenyl)-5-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-(3,4-dimethylphenyl)-5-[[3-nitro-4-(p-tolylsulfanyl)phenyl]methylene]-3-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-(3,4-dimethylphenyl)-5-[[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-(3,4-dimethylphenyl)-5-[[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylidene]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-(3,4-dimethylphenyl)-5-[3-nitro-4-(p-tolylthio)benzylidene]-3-phenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C32H25N3O4S2 MolecularWeight: 579.6886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)N(C3=O)C4=CC(=C(C=C4)C)C)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=C/3\C(=O)N(C(=S)N(C3=O)C4=CC(=C(C=C4)C)C)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C32H25N3O4S2/c1-20-9-14-26(15-10-20)41-29-16-12-23(19-28(29)35(38)39)18-27-30(36)33(24-7-5-4-6-8-24)32(40)34(31(27)37)25-13-11-21(2)22(3)17-25/h4-19H,1-3H3/b27-18+