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

Systemtic Name: 2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-ylcarbonyl-6-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-5-[oxo(thiophen-2-yl)methyl]-6-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(3-methoxyphenyl)ethyl]thio]-5-(2-thenoyl)-6-(trifluoromethyl)nicotinonitrile Formula: C21H13F3N2O3S2 MolecularWeight: 462.46473

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13F3N2O3S2/c1-29-14-5-2-4-12(8-14)16(27)11-31-20-13(10-25)9-15(19(26-20)21(22,23)24)18(28)17-6-3-7-30-17/h2-9H,11H2,1H3