2-(2-methanoyl-4-nitro-phenyl)sulfanyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-(2-methanoyl-4-nitro-phenyl)sulfanyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-(2-formyl-4-nitro-phenyl)sulfanyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(2-formyl-4-nitrophenyl)thio]-6-(4-methoxyphenyl)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-(2-formyl-4-nitrophenyl)sulfanyl-6-(4-methoxyphenyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(2-formyl-4-nitro-phenyl)thio]-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile Formula: C21H12F3N3O4S MolecularWeight: 459.39789

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O

InChI

InChI=1S/C21H12F3N3O4S/c1-31-15-5-2-12(3-6-15)18-9-17(21(22,23)24)16(10-25)20(26-18)32-19-7-4-14(27(29)30)8-13(19)11-28/h2-9,11H,1H3