2-phenyl-4-(phenylmethylsulfanyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one

Systemtic Name: 2-phenyl-4-(phenylmethylsulfanyl)-5-(trifluoromethyl)-1H-pyrimidin-6-one Openeye Name: 4-benzylsulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one CAS Name: 2-phenyl-4-(phenylmethylthio)-5-(trifluoromethyl)-1H-pyrimidin-6-one IUPAC Name: 4-benzylsulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one Traditional Name: 4-(benzylthio)-2-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one Formula: C18H13F3N2OS MolecularWeight: 362.36883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=O)NC(=N2)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=O)NC(=N2)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H13F3N2OS/c19-18(20,21)14-16(24)22-15(13-9-5-2-6-10-13)23-17(14)25-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,22,23,24)