2-phenacylsulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-phenacylsulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-phenacylsulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-(phenacylthio)-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-phenacylsulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-(phenacylthio)-6-phenyl-4-(trifluoromethyl)nicotinonitrile Formula: C21H13F3N2OS MolecularWeight: 398.40093

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H13F3N2OS/c22-21(23,24)17-11-18(14-7-3-1-4-8-14)26-20(16(17)12-25)28-13-19(27)15-9-5-2-6-10-15/h1-11H,13H2