1-(3,4-dimethylphenyl)-5-[(2-phenyl-1H-indol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(3,4-dimethylphenyl)-5-[(2-phenyl-1H-indol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(3,4-dimethylphenyl)-5-[(2-phenyl-1H-indol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3,4-dimethylphenyl)-5-[(2-phenyl-1H-indol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3,4-dimethylphenyl)-5-[(2-phenyl-1H-indol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(3,4-dimethylphenyl)-5-[(2-phenyl-1H-indol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C27H21N3O2S MolecularWeight: 451.53954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)NC2=S)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)NC2=S)C

InChI

InChI=1S/C27H21N3O2S/c1-16-12-13-19(14-17(16)2)30-26(32)22(25(31)29-27(30)33)15-21-20-10-6-7-11-23(20)28-24(21)18-8-4-3-5-9-18/h3-15,28H,1-2H3,(H,29,31,33)