2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-ylcarbonyl-6-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-ylcarbonyl-6-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-5-[oxo(thiophen-2-yl)methyl]-6-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-5-(2-thenoyl)-6-(trifluoromethyl)nicotinonitrile Formula: C21H11F3N2O4S2 MolecularWeight: 476.44825

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC(=C(C=C3C#N)C(=O)C4=CC=CS4)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC(=C(C=C3C#N)C(=O)C4=CC=CS4)C(F)(F)F

InChI

InChI=1S/C21H11F3N2O4S2/c22-21(23,24)19-13(18(28)17-2-1-5-31-17)6-12(8-25)20(26-19)32-9-14(27)11-3-4-15-16(7-11)30-10-29-15/h1-7H,9-10H2