5-[(2-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one

Systemtic Name: 5-[(2-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one Openeye Name: 5-[(2-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]-6-phenyl-hexahydropyrimidin-4-one CAS Name: 5-[(2-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methylthio]-6-phenyl-1,3-diazinan-4-one IUPAC Name: 5-[(2-chlorophenyl)methyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]-6-phenyl-1,3-diazinan-4-one Traditional Name: 5-(2-chlorobenzyl)-2-[(2,5-dimethylbenzyl)thio]-6-phenyl-hexahydropyrimidin-4-one Formula: C26H27ClN2OS MolecularWeight: 451.02338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2NC(C(C(=O)N2)CC3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2NC(C(C(=O)N2)CC3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C26H27ClN2OS/c1-17-12-13-18(2)21(14-17)16-31-26-28-24(19-8-4-3-5-9-19)22(25(30)29-26)15-20-10-6-7-11-23(20)27/h3-14,22,24,26,28H,15-16H2,1-2H3,(H,29,30)