(2E)-1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(2-methylsulfanyl-1H-pyrimidin-6-ylidene)-2-nitroso-ethanone

Systemtic Name: (2E)-1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(2-methylsulfanyl-1H-pyrimidin-6-ylidene)-2-nitroso-ethanone Openeye Name: (2E)-1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(2-methylsulfanyl-1H-pyrimidin-6-ylidene)-2-nitroso-ethanone CAS Name: (2E)-1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-[2-(methylthio)-1H-pyrimidin-6-ylidene]-2-nitrosoethanone IUPAC Name: (2E)-1-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-(2-methylsulfanyl-1H-pyrimidin-6-ylidene)-2-nitrosoethanone Traditional Name: (2E)-2-[2-(methylthio)-1H-pyrimidin-6-ylidene]-2-nitroso-1-(3-p-anisyloxyphenyl)ethanone Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)C(=C3C=CN=C(N3)SC)N=O

Isomeric SMILES

COC1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)/C(=C\3/C=CN=C(N3)SC)/N=O

InChI

InChI=1S/C21H19N3O4S/c1-27-16-8-6-14(7-9-16)13-28-17-5-3-4-15(12-17)20(25)19(24-26)18-10-11-22-21(23-18)29-2/h3-12H,13H2,1-2H3,(H,22,23)/b19-18+