1-(4-methylphenyl)-2-sulfanylidene-5-[(1,2,5-triphenylpyrrol-3-yl)methylidene]-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-methylphenyl)-2-sulfanylidene-5-[(1,2,5-triphenylpyrrol-3-yl)methylidene]-1,3-diazinane-4,6-dione Openeye Name: 1-(p-tolyl)-2-thioxo-5-[(1,2,5-triphenylpyrrol-3-yl)methylene]hexahydropyrimidine-4,6-dione CAS Name: 1-(4-methylphenyl)-2-sulfanylidene-5-[(1,2,5-triphenyl-3-pyrrolyl)methylidene]-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-methylphenyl)-2-sulfanylidene-5-[(1,2,5-triphenylpyrrol-3-yl)methylidene]-1,3-diazinane-4,6-dione Traditional Name: 1-(p-tolyl)-2-thioxo-5-[(1,2,5-triphenylpyrrol-3-yl)methylene]hexahydropyrimidine-4,6-quinone Formula: C34H25N3O2S MolecularWeight: 539.6462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C(=O)NC2=S

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C(=O)NC2=S

InChI

InChI=1S/C34H25N3O2S/c1-23-17-19-28(20-18-23)37-33(39)29(32(38)35-34(37)40)21-26-22-30(24-11-5-2-6-12-24)36(27-15-9-4-10-16-27)31(26)25-13-7-3-8-14-25/h2-22H,1H3,(H,35,38,40)