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

Systemtic Name: (2E)-1-(3-iodanylphenyl)-2-(2-methylsulfanyl-1H-pyrimidin-6-ylidene)-2-nitroso-ethanone Openeye Name: (2E)-1-(3-iodophenyl)-2-(2-methylsulfanyl-1H-pyrimidin-6-ylidene)-2-nitroso-ethanone CAS Name: (2E)-1-(3-iodophenyl)-2-[2-(methylthio)-1H-pyrimidin-6-ylidene]-2-nitrosoethanone IUPAC Name: (2E)-1-(3-iodophenyl)-2-(2-methylsulfanyl-1H-pyrimidin-6-ylidene)-2-nitrosoethanone Traditional Name: (2E)-1-(3-iodophenyl)-2-[2-(methylthio)-1H-pyrimidin-6-ylidene]-2-nitroso-ethanone Formula: C13H10IN3O2S MolecularWeight: 399.20687

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=C(C(=O)C2=CC(=CC=C2)I)N=O)N1

Isomeric SMILES

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

InChI

InChI=1S/C13H10IN3O2S/c1-20-13-15-6-5-10(16-13)11(17-19)12(18)8-3-2-4-9(14)7-8/h2-7H,1H3,(H,15,16)/b11-10+