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

Systemtic Name: 1-(2-methylphenyl)-5-[(1-phenylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(o-tolyl)-5-[(1-phenylpyrrol-2-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(2-methylphenyl)-5-[(1-phenyl-2-pyrrolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(2-methylphenyl)-5-[(1-phenylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(o-tolyl)-5-[(1-phenylpyrrol-2-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H17N3O2S MolecularWeight: 387.45428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CC3=CC=CN3C4=CC=CC=C4)C(=O)NC2=S

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C(=CC3=CC=CN3C4=CC=CC=C4)C(=O)NC2=S

InChI

InChI=1S/C22H17N3O2S/c1-15-8-5-6-12-19(15)25-21(27)18(20(26)23-22(25)28)14-17-11-7-13-24(17)16-9-3-2-4-10-16/h2-14H,1H3,(H,23,26,28)