2-[(4-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine CAS Name: 2-[(4-nitrophenyl)methylthio]-5-(trifluoromethyl)pyridine IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine Traditional Name: 2-[(4-nitrobenzyl)thio]-5-(trifluoromethyl)pyridine Formula: C13H9F3N2O2S MolecularWeight: 314.28297

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H9F3N2O2S/c14-13(15,16)10-3-6-12(17-7-10)21-8-9-1-4-11(5-2-9)18(19)20/h1-7H,8H2