(2E)-2-(2-methylsulfanyl-1H-pyrimidin-6-ylidene)-2-nitroso-1-(3-phenylmethoxyphenyl)ethanone

Systemtic Name: (2E)-2-(2-methylsulfanyl-1H-pyrimidin-6-ylidene)-2-nitroso-1-(3-phenylmethoxyphenyl)ethanone Openeye Name: (2E)-1-(3-benzyloxyphenyl)-2-(2-methylsulfanyl-1H-pyrimidin-6-ylidene)-2-nitroso-ethanone CAS Name: (2E)-2-[2-(methylthio)-1H-pyrimidin-6-ylidene]-2-nitroso-1-(3-phenylmethoxyphenyl)ethanone IUPAC Name: (2E)-2-(2-methylsulfanyl-1H-pyrimidin-6-ylidene)-2-nitroso-1-(3-phenylmethoxyphenyl)ethanone Traditional Name: (2E)-1-(3-benzoxyphenyl)-2-[2-(methylthio)-1H-pyrimidin-6-ylidene]-2-nitroso-ethanone Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O3S/c1-27-20-21-11-10-17(22-20)18(23-25)19(24)15-8-5-9-16(12-15)26-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,21,22)/b18-17+