2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-phenyl-pyridine-3-carboxylic acid

Systemtic Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-phenyl-pyridine-3-carboxylic acid Openeye Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-phenyl-pyridine-3-carboxylic acid CAS Name: 2-[(2,4-dimethoxyphenyl)methylthio]-6-phenyl-3-pyridinecarboxylic acid IUPAC Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-phenylpyridine-3-carboxylic acid Traditional Name: 2-[(2,4-dimethoxybenzyl)thio]-6-phenyl-nicotinic acid Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CSC2=C(C=CC(=N2)C3=CC=CC=C3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CSC2=C(C=CC(=N2)C3=CC=CC=C3)C(=O)O)OC

InChI

InChI=1S/C21H19NO4S/c1-25-16-9-8-15(19(12-16)26-2)13-27-20-17(21(23)24)10-11-18(22-20)14-6-4-3-5-7-14/h3-12H,13H2,1-2H3,(H,23,24)