6-methyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-methyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-methyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-methyl-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-methyl-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-6-methyl-4-(trifluoromethyl)nicotinonitrile Formula: C16H10F3N3O3S MolecularWeight: 381.32911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H10F3N3O3S/c1-9-6-13(16(17,18)19)12(7-20)15(21-9)26-8-14(23)10-2-4-11(5-3-10)22(24)25/h2-6H,8H2,1H3