2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[(2-methoxy-5-nitrophenyl)methylthio]-6-methyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[(2-methoxy-5-nitro-benzyl)thio]-6-methyl-4-(trifluoromethyl)nicotinonitrile Formula: C16H12F3N3O3S MolecularWeight: 383.34499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H12F3N3O3S/c1-9-5-13(16(17,18)19)12(7-20)15(21-9)26-8-10-6-11(22(23)24)3-4-14(10)25-2/h3-6H,8H2,1-2H3