2-methyl-2-[2-methyl-2-[2-nitro-5-[4-(trifluoromethyl)phenyl]sulfanyl-phenyl]sulfanyl-propanoyl]propanedinitrile

Systemtic Name: 2-methyl-2-[2-methyl-2-[2-nitro-5-[4-(trifluoromethyl)phenyl]sulfanyl-phenyl]sulfanyl-propanoyl]propanedinitrile Openeye Name: 2-methyl-2-[2-methyl-2-[2-nitro-5-[4-(trifluoromethyl)phenyl]sulfanyl-phenyl]sulfanyl-propanoyl]propanedinitrile CAS Name: 2-methyl-2-[2-methyl-2-[[2-nitro-5-[[4-(trifluoromethyl)phenyl]thio]phenyl]thio]-1-oxopropyl]propanedinitrile IUPAC Name: 2-methyl-2-[2-methyl-2-[2-nitro-5-[4-(trifluoromethyl)phenyl]sulfanylphenyl]sulfanylpropanoyl]propanedinitrile Traditional Name: 2-methyl-2-[2-methyl-2-[[2-nitro-5-[[4-(trifluoromethyl)phenyl]thio]phenyl]thio]propanoyl]malononitrile Formula: C21H16F3N3O3S2 MolecularWeight: 479.49525

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C(C)(C#N)C#N)SC1=C(C=CC(=C1)SC2=CC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)C(C)(C#N)C#N)SC1=C(C=CC(=C1)SC2=CC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H16F3N3O3S2/c1-19(2,18(28)20(3,11-25)12-26)32-17-10-15(8-9-16(17)27(29)30)31-14-6-4-13(5-7-14)21(22,23)24/h4-10H,1-3H3