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

Systemtic Name: 5-[[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[3-nitro-4-(p-tolylsulfanyl)phenyl]methylene]-1,3-diphenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[3-nitro-4-(p-tolylthio)benzylidene]-1,3-diphenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C30H21N3O4S2 MolecularWeight: 551.63544

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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=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C30H21N3O4S2/c1-20-12-15-24(16-13-20)39-27-17-14-21(19-26(27)33(36)37)18-25-28(34)31(22-8-4-2-5-9-22)30(38)32(29(25)35)23-10-6-3-7-11-23/h2-19H,1H3