4-[(4-methoxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 4-[(4-methoxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 4-(p-anisylthio)nicotinic acid Formula: C14H13NO3S MolecularWeight: 275.32292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=C(C=NC=C2)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=C(C=NC=C2)C(=O)O

InChI

InChI=1S/C14H13NO3S/c1-18-11-4-2-10(3-5-11)9-19-13-6-7-15-8-12(13)14(16)17/h2-8H,9H2,1H3,(H,16,17)