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2-[(2-nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid

2-[(2-nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name:2-[(2-nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid
Openeye Name:2-[(2-nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid
CAS Name:2-[(2-nitrophenyl)methylthio]-3-pyridinecarboxylic acid
IUPAC Name:2-[(2-nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid
Traditional Name:2-[(2-nitrobenzyl)thio]nicotinic acid
Formula: C13H10N2O4S
MolecularWeight: 290.2945
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=C(C=CC=N2)C(=O)O)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C(C(=C1)CSC2=C(C=CC=N2)C(=O)O)[N+](=O)[O-]


InChI

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


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