2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4,6-bis(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4,6-bis(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-4,6-bis(trifluoromethyl)nicotinonitrile Formula: C16H7ClF6N2OS MolecularWeight: 424.747999

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC2=C(C(=CC(=N2)C(F)(F)F)C(F)(F)F)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSC2=C(C(=CC(=N2)C(F)(F)F)C(F)(F)F)C#N)Cl

InChI

InChI=1S/C16H7ClF6N2OS/c17-9-3-1-8(2-4-9)12(26)7-27-14-10(6-24)11(15(18,19)20)5-13(25-14)16(21,22)23/h1-5H,7H2