2-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitro-phenyl]methylidene]propanedinitrile

Systemtic Name: 2-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitro-phenyl]methylidene]propanedinitrile Openeye Name: 2-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitro-phenyl]methylene]propanedinitrile CAS Name: 2-[[4-[(4,6-dimethyl-2-pyrimidinyl)thio]-3-nitrophenyl]methylidene]propanedinitrile IUPAC Name: 2-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitrophenyl]methylidene]propanedinitrile Traditional Name: 2-[4-[(4,6-dimethylpyrimidin-2-yl)thio]-3-nitro-benzylidene]malononitrile Formula: C16H11N5O2S MolecularWeight: 337.35584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C=C(C=C2)C=C(C#N)C#N)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C=C(C=C2)C=C(C#N)C#N)[N+](=O)[O-])C

InChI

InChI=1S/C16H11N5O2S/c1-10-5-11(2)20-16(19-10)24-15-4-3-12(6-13(8-17)9-18)7-14(15)21(22)23/h3-7H,1-2H3