4-[[3-[(2E)-2-(2-methylsulfanyl-1H-pyrimidin-6-ylidene)-2-nitroso-ethanoyl]phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[(2E)-2-(2-methylsulfanyl-1H-pyrimidin-6-ylidene)-2-nitroso-ethanoyl]phenoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[3-[(2E)-2-(2-methylsulfanyl-1H-pyrimidin-6-ylidene)-2-nitroso-acetyl]phenoxy]methyl]benzonitrile CAS Name: 4-[[3-[(2E)-2-[2-(methylthio)-1H-pyrimidin-6-ylidene]-2-nitroso-1-oxoethyl]phenoxy]methyl]benzonitrile IUPAC Name: 4-[[3-[(2E)-2-(2-methylsulfanyl-1H-pyrimidin-6-ylidene)-2-nitrosoacetyl]phenoxy]methyl]benzonitrile Traditional Name: 4-[[3-[(2E)-2-[2-(methylthio)-1H-pyrimidin-6-ylidene]-2-nitroso-acetyl]phenoxy]methyl]benzonitrile Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O3S/c1-29-21-23-10-9-18(24-21)19(25-27)20(26)16-3-2-4-17(11-16)28-13-15-7-5-14(12-22)6-8-15/h2-11H,13H2,1H3,(H,23,24)/b19-18+