5-chloranyl-6-(phenylmethylsulfanyl)pyridine-3-carboxylate

Systemtic Name: 5-chloranyl-6-(phenylmethylsulfanyl)pyridine-3-carboxylate Openeye Name: 6-benzylsulfanyl-5-chloro-pyridine-3-carboxylate CAS Name: 5-chloro-6-(phenylmethylthio)-3-pyridinecarboxylate IUPAC Name: 6-benzylsulfanyl-5-chloropyridine-3-carboxylate Traditional Name: 6-(benzylthio)-5-chloro-nicotinate Formula: C13H9ClNO2S- MolecularWeight: 278.73406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C(C=N2)C(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C(C=N2)C(=O)[O-])Cl

InChI

InChI=1S/C13H10ClNO2S/c14-11-6-10(13(16)17)7-15-12(11)18-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17)/p-1