2-[(2,4-dimethylphenyl)methylsulfanyl]-3,6-diphenyl-pyrimidin-4-one

Systemtic Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-3,6-diphenyl-pyrimidin-4-one Openeye Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-3,6-diphenyl-pyrimidin-4-one CAS Name: 2-[(2,4-dimethylphenyl)methylthio]-3,6-diphenyl-4-pyrimidinone IUPAC Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-3,6-diphenylpyrimidin-4-one Traditional Name: 2-[(2,4-dimethylbenzyl)thio]-3,6-diphenyl-pyrimidin-4-one Formula: C25H22N2OS MolecularWeight: 398.51998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=NC(=CC(=O)N2C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NC(=CC(=O)N2C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H22N2OS/c1-18-13-14-21(19(2)15-18)17-29-25-26-23(20-9-5-3-6-10-20)16-24(28)27(25)22-11-7-4-8-12-22/h3-16H,17H2,1-2H3