2-(3-methyl-4-nitro-phenyl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(3-methyl-4-nitro-phenyl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(3-methyl-4-nitro-phenyl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[(3-methyl-4-nitrophenyl)thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(3-methyl-4-nitrophenyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(3-methyl-4-nitro-phenyl)thio]nicotinic acid Formula: C13H10N2O4S MolecularWeight: 290.2945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC2=C(C=CC=N2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)SC2=C(C=CC=N2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O4S/c1-8-7-9(4-5-11(8)15(18)19)20-12-10(13(16)17)3-2-6-14-12/h2-7H,1H3,(H,16,17)