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

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-propyl-6-(trifluoromethyl)pyrimidin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-propyl-6-(trifluoromethyl)pyrimidin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-propyl-6-(trifluoromethyl)-4-pyrimidinone IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-propyl-6-(trifluoromethyl)pyrimidin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3-propyl-6-(trifluoromethyl)pyrimidin-4-one Formula: C19H23F3N2OS MolecularWeight: 384.45893

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=C(N=C1SCC2=CC=C(C=C2)C(C)(C)C)C(F)(F)F

Isomeric SMILES

CCCN1C(=O)C=C(N=C1SCC2=CC=C(C=C2)C(C)(C)C)C(F)(F)F

InChI

InChI=1S/C19H23F3N2OS/c1-5-10-24-16(25)11-15(19(20,21)22)23-17(24)26-12-13-6-8-14(9-7-13)18(2,3)4/h6-9,11H,5,10,12H2,1-4H3