2-[(4-tert-butylphenyl)methylsulfanyl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-methyl-6-(trifluoromethyl)-4-pyrimidinone IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3-methyl-6-(trifluoromethyl)pyrimidin-4-one Formula: C17H19F3N2OS MolecularWeight: 356.40577

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2C)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2C)C(F)(F)F

InChI

InChI=1S/C17H19F3N2OS/c1-16(2,3)12-7-5-11(6-8-12)10-24-15-21-13(17(18,19)20)9-14(23)22(15)4/h5-9H,10H2,1-4H3