1,3-bis(3-methylphenyl)-5-[(4-methylsulfanylphenyl)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1,3-bis(3-methylphenyl)-5-[(4-methylsulfanylphenyl)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(4-methylsulfanylphenyl)methylene]-1,3-bis(m-tolyl)hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-bis(3-methylphenyl)-5-[[4-(methylthio)phenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-bis(3-methylphenyl)-5-[(4-methylsulfanylphenyl)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 5-[4-(methylthio)benzylidene]-1,3-bis(m-tolyl)barbituric acid Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=C(C=C3)SC)C(=O)N(C2=O)C4=CC=CC(=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=C(C=C3)SC)C(=O)N(C2=O)C4=CC=CC(=C4)C

InChI

InChI=1S/C26H22N2O3S/c1-17-6-4-8-20(14-17)27-24(29)23(16-19-10-12-22(32-3)13-11-19)25(30)28(26(27)31)21-9-5-7-18(2)15-21/h4-16H,1-3H3