2-[(3-chlorophenyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(3-chlorophenyl)methylthio]-3-pyridinecarboxylate IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(3-chlorobenzyl)thio]nicotinate Formula: C13H9ClNO2S- MolecularWeight: 278.73406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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