2-chloranyl-5-[3-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[3-[6-(4-chlorophenyl)-3-cyano-pyridin-2-yl]sulfanylpropanoylamino]benzoic acid Openeye Name: 2-chloro-5-[3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]sulfanyl]propanoylamino]benzoic acid CAS Name: 2-chloro-5-[[3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[3-[6-(4-chlorophenyl)-3-cyanopyridin-2-yl]sulfanylpropanoylamino]benzoic acid Traditional Name: 2-chloro-5-[3-[[6-(4-chlorophenyl)-3-cyano-2-pyridyl]thio]propanoylamino]benzoic acid Formula: C22H15Cl2N3O3S MolecularWeight: 472.3438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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