2-[2-(4-chlorophenyl)sulfanylpyridin-3-yl]sulfanylethanoic acid

Systemtic Name: 2-[2-(4-chlorophenyl)sulfanylpyridin-3-yl]sulfanylethanoic acid Openeye Name: 2-[[2-(4-chlorophenyl)sulfanyl-3-pyridyl]sulfanyl]acetic acid CAS Name: 2-[[2-[(4-chlorophenyl)thio]-3-pyridinyl]thio]acetic acid IUPAC Name: 2-[2-(4-chlorophenyl)sulfanylpyridin-3-yl]sulfanylacetic acid Traditional Name: 2-[[2-[(4-chlorophenyl)thio]-3-pyridyl]thio]acetic acid Formula: C13H10ClNO2S2 MolecularWeight: 311.807

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SC2=CC=C(C=C2)Cl)SCC(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SC2=CC=C(C=C2)Cl)SCC(=O)O

InChI

InChI=1S/C13H10ClNO2S2/c14-9-3-5-10(6-4-9)19-13-11(2-1-7-15-13)18-8-12(16)17/h1-7H,8H2,(H,16,17)