4-chloranyl-3-[3-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[3-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-chloro-3-[3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]propanoylamino]benzoic acid CAS Name: 4-chloro-3-[[3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[3-[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-chloro-3-[3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]thio]propanoylamino]benzoic acid Formula: C22H15Cl2N3O3S MolecularWeight: 472.3438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=C(C=CC(=C3)C(=O)O)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=C(C=CC(=C3)C(=O)O)Cl)Cl

InChI

InChI=1S/C22H15Cl2N3O3S/c23-16-5-1-13(2-6-16)18-8-4-15(12-25)21(27-18)31-10-9-20(28)26-19-11-14(22(29)30)3-7-17(19)24/h1-8,11H,9-10H2,(H,26,28)(H,29,30)