2-[methylsulfanyl(4H-pyridin-1-yl)methyl]-6-nitro-phenol

Systemtic Name: 2-[methylsulfanyl(4H-pyridin-1-yl)methyl]-6-nitro-phenol Openeye Name: 2-[methylsulfanyl(4H-pyridin-1-yl)methyl]-6-nitro-phenol CAS Name: 2-[(methylthio)-(4H-pyridin-1-yl)methyl]-6-nitrophenol IUPAC Name: 2-[methylsulfanyl(4H-pyridin-1-yl)methyl]-6-nitrophenol Traditional Name: 2-[(methylthio)-(4H-pyridin-1-yl)methyl]-6-nitro-phenol Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CSC(C1=C(C(=CC=C1)[N+](=O)[O-])O)N2C=CCC=C2

Isomeric SMILES

CSC(C1=C(C(=CC=C1)[N+](=O)[O-])O)N2C=CCC=C2

InChI

InChI=1S/C13H14N2O3S/c1-19-13(14-8-3-2-4-9-14)10-6-5-7-11(12(10)16)15(17)18/h3-9,13,16H,2H2,1H3