6-methyl-2-phenethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-methyl-2-phenethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-methyl-2-phenethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-methyl-2-(phenethylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-methyl-2-phenethylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-methyl-2-(phenethylthio)-4-(trifluoromethyl)nicotinonitrile Formula: C16H13F3N2S MolecularWeight: 322.34803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCCC2=CC=CC=C2

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCCC2=CC=CC=C2

InChI

InChI=1S/C16H13F3N2S/c1-11-9-14(16(17,18)19)13(10-20)15(21-11)22-8-7-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3