2-methyl-2-[2-methyl-2-(2-nitrophenyl)sulfanyl-3-[4-(trifluoromethyl)phenyl]sulfanyl-propanoyl]propanedinitrile

Systemtic Name: 2-methyl-2-[2-methyl-2-(2-nitrophenyl)sulfanyl-3-[4-(trifluoromethyl)phenyl]sulfanyl-propanoyl]propanedinitrile Openeye Name: 2-methyl-2-[2-methyl-2-(2-nitrophenyl)sulfanyl-3-[4-(trifluoromethyl)phenyl]sulfanyl-propanoyl]propanedinitrile CAS Name: 2-methyl-2-[2-methyl-2-[(2-nitrophenyl)thio]-1-oxo-3-[[4-(trifluoromethyl)phenyl]thio]propyl]propanedinitrile IUPAC Name: 2-methyl-2-[2-methyl-2-(2-nitrophenyl)sulfanyl-3-[4-(trifluoromethyl)phenyl]sulfanylpropanoyl]propanedinitrile Traditional Name: 2-methyl-2-[2-methyl-2-[(2-nitrophenyl)thio]-3-[[4-(trifluoromethyl)phenyl]thio]propanoyl]malononitrile Formula: C21H16F3N3O3S2 MolecularWeight: 479.49525

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=C(C=C1)C(F)(F)F)(C(=O)C(C)(C#N)C#N)SC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(CSC1=CC=C(C=C1)C(F)(F)F)(C(=O)C(C)(C#N)C#N)SC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C21H16F3N3O3S2/c1-19(11-25,12-26)18(28)20(2,32-17-6-4-3-5-16(17)27(29)30)13-31-15-9-7-14(8-10-15)21(22,23)24/h3-10H,13H2,1-2H3