2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-ylcarbonyl-6-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-ylcarbonyl-6-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]thio]-5-[oxo(thiophen-2-yl)methyl]-6-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]thio]-5-(2-thenoyl)-6-(trifluoromethyl)nicotinonitrile Formula: C22H15F3N2O4S2 MolecularWeight: 492.49071

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NC(=C(C=C2C#N)C(=O)C3=CC=CS3)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NC(=C(C=C2C#N)C(=O)C3=CC=CS3)C(F)(F)F)OC

InChI

InChI=1S/C22H15F3N2O4S2/c1-30-16-6-5-12(9-17(16)31-2)15(28)11-33-21-13(10-26)8-14(20(27-21)22(23,24)25)19(29)18-4-3-7-32-18/h3-9H,11H2,1-2H3