5-[[1-(4-nitrophenyl)-2,5-diphenyl-pyrrol-3-yl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[1-(4-nitrophenyl)-2,5-diphenyl-pyrrol-3-yl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[1-(4-nitrophenyl)-2,5-diphenyl-pyrrol-3-yl]methylene]-1,3-diphenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-(4-nitrophenyl)-2,5-diphenyl-3-pyrrolyl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-(4-nitrophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[1-(4-nitrophenyl)-2,5-diphenyl-pyrrol-3-yl]methylene]-1,3-diphenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C39H26N4O4S MolecularWeight: 646.71314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(N2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C=C5C(=O)N(C(=S)N(C5=O)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(N2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C=C5C(=O)N(C(=S)N(C5=O)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C39H26N4O4S/c44-37-34(38(45)42(31-19-11-4-12-20-31)39(48)41(37)30-17-9-3-10-18-30)25-29-26-35(27-13-5-1-6-14-27)40(36(29)28-15-7-2-8-16-28)32-21-23-33(24-22-32)43(46)47/h1-26H