6-(3-methylsulfonylphenoxy)pyridine-3-carbothioamide

Systemtic Name: 6-(3-methylsulfonylphenoxy)pyridine-3-carbothioamide Openeye Name: 6-(3-methylsulfonylphenoxy)pyridine-3-carbothioamide CAS Name: 6-(3-methylsulfonylphenoxy)-3-pyridinecarbothioamide IUPAC Name: 6-(3-methylsulfonylphenoxy)pyridine-3-carbothioamide Traditional Name: 6-(3-mesylphenoxy)thionicotinamide Formula: C13H12N2O3S2 MolecularWeight: 308.37598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)OC2=NC=C(C=C2)C(=S)N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)OC2=NC=C(C=C2)C(=S)N

InChI

InChI=1S/C13H12N2O3S2/c1-20(16,17)11-4-2-3-10(7-11)18-12-6-5-9(8-15-12)13(14)19/h2-8H,1H3,(H2,14,19)