6-cyclopropyl-2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-cyclopropyl-2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-cyclopropyl-2-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-cyclopropyl-2-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-cyclopropyl-2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-cyclopropyl-2-[[2-keto-2-(3-methoxyphenyl)ethyl]thio]-4-(trifluoromethyl)nicotinonitrile Formula: C19H15F3N2O2S MolecularWeight: 392.39481

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)CSC2=C(C(=CC(=N2)C3CC3)C(F)(F)F)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)CSC2=C(C(=CC(=N2)C3CC3)C(F)(F)F)C#N

InChI

InChI=1S/C19H15F3N2O2S/c1-26-13-4-2-3-12(7-13)17(25)10-27-18-14(9-23)15(19(20,21)22)8-16(24-18)11-5-6-11/h2-4,7-8,11H,5-6,10H2,1H3