2-[[2,4-bis(chloranyl)-6-methyl-pyridin-3-yl]methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[[2,4-bis(chloranyl)-6-methyl-pyridin-3-yl]methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(2,4-dichloro-6-methyl-3-pyridyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(2,4-dichloro-6-methyl-3-pyridinyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(2,4-dichloro-6-methylpyridin-3-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(2,4-dichloro-6-methyl-3-pyridyl)methylthio]nicotinic acid Formula: C13H10Cl2N2O2S MolecularWeight: 329.2017

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)Cl)CSC2=C(C=CC=N2)C(=O)O)Cl

Isomeric SMILES

CC1=NC(=C(C(=C1)Cl)CSC2=C(C=CC=N2)C(=O)O)Cl

InChI

InChI=1S/C13H10Cl2N2O2S/c1-7-5-10(14)9(11(15)17-7)6-20-12-8(13(18)19)3-2-4-16-12/h2-5H,6H2,1H3,(H,18,19)