3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxidanylidene-2-pyridin-2-yl-propanenitrile

Systemtic Name: 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxidanylidene-2-pyridin-2-yl-propanenitrile Openeye Name: 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-(2-pyridyl)propanenitrile CAS Name: 3-[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]phenyl]-3-oxo-2-(2-pyridinyl)propanenitrile IUPAC Name: 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-pyridin-2-ylpropanenitrile Traditional Name: 3-keto-3-[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]phenyl]-2-(2-pyridyl)propionitrile Formula: C21H12F3N3O3S MolecularWeight: 443.39849

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C(C#N)C2=CC=CC=N2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C(C#N)C2=CC=CC=N2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H12F3N3O3S/c22-21(23,24)13-8-9-19(17(11-13)27(29)30)31-18-7-2-1-5-14(18)20(28)15(12-25)16-6-3-4-10-26-16/h1-11,15H