2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(4-nitrophenyl)methylthio]-3-pyridinecarboxylate IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(4-nitrobenzyl)thio]nicotinate Formula: C13H9N2O4S- MolecularWeight: 289.28656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O4S/c16-13(17)11-2-1-7-14-12(11)20-8-9-3-5-10(6-4-9)15(18)19/h1-7H,8H2,(H,16,17)/p-1