(2E)-1-(4-fluoranyl-3-phenylmethoxy-phenyl)-2-(2-methylsulfanyl-1H-pyrimidin-6-ylidene)-2-nitroso-ethanone

Systemtic Name: (2E)-1-(4-fluoranyl-3-phenylmethoxy-phenyl)-2-(2-methylsulfanyl-1H-pyrimidin-6-ylidene)-2-nitroso-ethanone Openeye Name: (2E)-1-(3-benzyloxy-4-fluoro-phenyl)-2-(2-methylsulfanyl-1H-pyrimidin-6-ylidene)-2-nitroso-ethanone CAS Name: (2E)-1-(4-fluoro-3-phenylmethoxyphenyl)-2-[2-(methylthio)-1H-pyrimidin-6-ylidene]-2-nitrosoethanone IUPAC Name: (2E)-1-(4-fluoro-3-phenylmethoxyphenyl)-2-(2-methylsulfanyl-1H-pyrimidin-6-ylidene)-2-nitrosoethanone Traditional Name: (2E)-1-(3-benzoxy-4-fluoro-phenyl)-2-[2-(methylthio)-1H-pyrimidin-6-ylidene]-2-nitroso-ethanone Formula: C20H16FN3O3S MolecularWeight: 397.422743

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=C(C(=O)C2=CC(=C(C=C2)F)OCC3=CC=CC=C3)N=O)N1

Isomeric SMILES

CSC1=NC=C/C(=C(/C(=O)C2=CC(=C(C=C2)F)OCC3=CC=CC=C3)\N=O)/N1

InChI

InChI=1S/C20H16FN3O3S/c1-28-20-22-10-9-16(23-20)18(24-26)19(25)14-7-8-15(21)17(11-14)27-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,22,23)/b18-16+