2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-[4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-(2-benzylsulfanyl-4-oxo-1H-pyrimidin-6-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[2-(benzylthio)-4-keto-1H-pyrimidin-6-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C20H16F3N3O3S MolecularWeight: 435.41955

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C20H16F3N3O3S/c21-20(22,23)29-16-8-6-14(7-9-16)24-17(27)10-15-11-18(28)26-19(25-15)30-12-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,24,27)(H,25,26,28)