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

Systemtic Name: 5-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methylene]-1,3-diphenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[4-[(4-chlorophenyl)thio]-3-nitrophenyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[4-[(4-chlorophenyl)thio]-3-nitro-benzylidene]-1,3-diphenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C29H18ClN3O4S2 MolecularWeight: 572.05392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-])C(=O)N(C2=S)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-])C(=O)N(C2=S)C5=CC=CC=C5

InChI

InChI=1S/C29H18ClN3O4S2/c30-20-12-14-23(15-13-20)39-26-16-11-19(18-25(26)33(36)37)17-24-27(34)31(21-7-3-1-4-8-21)29(38)32(28(24)35)22-9-5-2-6-10-22/h1-18H