2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(2-methyl-3-nitrophenyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(2-methyl-3-nitrophenyl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(2-methyl-3-nitro-benzyl)thio]nicotinic acid Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C14H12N2O4S/c1-9-10(4-2-6-12(9)16(19)20)8-21-13-11(14(17)18)5-3-7-15-13/h2-7H,8H2,1H3,(H,17,18)