4-methyl-2-[(4-nitrophenyl)methylsulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 4-methyl-2-[(4-nitrophenyl)methylsulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 4-methyl-2-[(4-nitrophenyl)methylsulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 4-methyl-2-[(4-nitrophenyl)methylthio]-6-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 4-methyl-2-[(4-nitrophenyl)methylsulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 4-methyl-2-[(4-nitrobenzyl)thio]-6-(trifluoromethyl)nicotinonitrile Formula: C15H10F3N3O2S MolecularWeight: 353.31901

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H10F3N3O2S/c1-9-6-13(15(16,17)18)20-14(12(9)7-19)24-8-10-2-4-11(5-3-10)21(22)23/h2-6H,8H2,1H3