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

Systemtic Name: 2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-ylcarbonyl-6-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-5-[oxo(thiophen-2-yl)methyl]-6-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(p-tolyl)ethyl]thio]-5-(2-thenoyl)-6-(trifluoromethyl)nicotinonitrile Formula: C21H13F3N2O2S2 MolecularWeight: 446.46533

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC(=C(C=C2C#N)C(=O)C3=CC=CS3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC(=C(C=C2C#N)C(=O)C3=CC=CS3)C(F)(F)F

InChI

InChI=1S/C21H13F3N2O2S2/c1-12-4-6-13(7-5-12)16(27)11-30-20-14(10-25)9-15(19(26-20)21(22,23)24)18(28)17-3-2-8-29-17/h2-9H,11H2,1H3