5-[[4-(2,4-dinitrophenoxy)-3-methoxy-phenyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[4-(2,4-dinitrophenoxy)-3-methoxy-phenyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[4-(2,4-dinitrophenoxy)-3-methoxy-phenyl]methylene]-1,3-diphenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[4-(2,4-dinitrophenoxy)-3-methoxy-benzylidene]-1,3-diphenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C30H20N4O8S MolecularWeight: 596.5668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C30H20N4O8S/c1-41-27-17-19(12-14-26(27)42-25-15-13-22(33(37)38)18-24(25)34(39)40)16-23-28(35)31(20-8-4-2-5-9-20)30(43)32(29(23)36)21-10-6-3-7-11-21/h2-18H,1H3