2-[(3,5-dinitrophenyl)methylsulfanyl]pyridine

Systemtic Name: 2-[(3,5-dinitrophenyl)methylsulfanyl]pyridine Openeye Name: 2-[(3,5-dinitrophenyl)methylsulfanyl]pyridine CAS Name: 2-[(3,5-dinitrophenyl)methylthio]pyridine IUPAC Name: 2-[(3,5-dinitrophenyl)methylsulfanyl]pyridine Traditional Name: 2-[(3,5-dinitrobenzyl)thio]pyridine Formula: C12H9N3O4S MolecularWeight: 291.28256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)SCC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O4S/c16-14(17)10-5-9(6-11(7-10)15(18)19)8-20-12-3-1-2-4-13-12/h1-7H,8H2