5-[(3,5-dimethyl-4-oxidanyl-phenyl)methylidene]-1-(3,5-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(3,5-dimethyl-4-oxidanyl-phenyl)methylidene]-1-(3,5-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(3,5-dimethylphenyl)-5-[(4-hydroxy-3,5-dimethyl-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3,5-dimethylphenyl)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3,5-dimethylphenyl)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(3,5-dimethylphenyl)-5-(4-hydroxy-3,5-dimethyl-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)C)O)C)C(=O)NC2=S)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)C)O)C)C(=O)NC2=S)C

InChI

InChI=1S/C21H20N2O3S/c1-11-5-12(2)7-16(6-11)23-20(26)17(19(25)22-21(23)27)10-15-8-13(3)18(24)14(4)9-15/h5-10,24H,1-4H3,(H,22,25,27)