2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(5-phenylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[(5-phenyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(5-phenylisoxazol-3-yl)methylthio]nicotinic acid Formula: C16H12N2O3S MolecularWeight: 312.34308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NO2)CSC3=C(C=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NO2)CSC3=C(C=CC=N3)C(=O)O

InChI

InChI=1S/C16H12N2O3S/c19-16(20)13-7-4-8-17-15(13)22-10-12-9-14(21-18-12)11-5-2-1-3-6-11/h1-9H,10H2,(H,19,20)