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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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