(2Z)-4,4-dimethyl-2-[(5-nitro-2-pyridin-2-ylsulfanyl-phenyl)methylidene]-3-oxidanylidene-pentanenitrile

Systemtic Name: (2Z)-4,4-dimethyl-2-[(5-nitro-2-pyridin-2-ylsulfanyl-phenyl)methylidene]-3-oxidanylidene-pentanenitrile Openeye Name: (2Z)-4,4-dimethyl-2-[[5-nitro-2-(2-pyridylsulfanyl)phenyl]methylene]-3-oxo-pentanenitrile CAS Name: (2Z)-4,4-dimethyl-2-[[5-nitro-2-(2-pyridinylthio)phenyl]methylidene]-3-oxopentanenitrile IUPAC Name: (2Z)-4,4-dimethyl-2-[(5-nitro-2-pyridin-2-ylsulfanylphenyl)methylidene]-3-oxopentanenitrile Traditional Name: (Z)-3-[5-nitro-2-(2-pyridylthio)phenyl]-2-pivaloyl-acrylonitrile Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=CC=N2)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C\C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=CC=N2)/C#N

InChI

InChI=1S/C19H17N3O3S/c1-19(2,3)18(23)14(12-20)10-13-11-15(22(24)25)7-8-16(13)26-17-6-4-5-9-21-17/h4-11H,1-3H3/b14-10-