2-[(2,5-dimethylphenyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-pyridinecarboxylate IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(2,5-dimethylbenzyl)thio]nicotinate Formula: C15H14NO2S- MolecularWeight: 272.34216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C15H15NO2S/c1-10-5-6-11(2)12(8-10)9-19-14-13(15(17)18)4-3-7-16-14/h3-8H,9H2,1-2H3,(H,17,18)/p-1