2-[6-(3,4-dichlorophenyl)pyridazin-3-yl]sulfanyl-4-oxidanylidene-4-(4-phenoxyphenyl)butanoic acid

Systemtic Name: 2-[6-(3,4-dichlorophenyl)pyridazin-3-yl]sulfanyl-4-oxidanylidene-4-(4-phenoxyphenyl)butanoic acid Openeye Name: 2-[6-(3,4-dichlorophenyl)pyridazin-3-yl]sulfanyl-4-oxo-4-(4-phenoxyphenyl)butanoic acid CAS Name: 2-[[6-(3,4-dichlorophenyl)-3-pyridazinyl]thio]-4-oxo-4-(4-phenoxyphenyl)butanoic acid IUPAC Name: 2-[6-(3,4-dichlorophenyl)pyridazin-3-yl]sulfanyl-4-oxo-4-(4-phenoxyphenyl)butanoic acid Traditional Name: 2-[[6-(3,4-dichlorophenyl)pyridazin-3-yl]thio]-4-keto-4-(4-phenoxyphenyl)butyric acid Formula: C26H18Cl2N2O4S MolecularWeight: 525.40312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)CC(C(=O)O)SC3=NN=C(C=C3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)CC(C(=O)O)SC3=NN=C(C=C3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C26H18Cl2N2O4S/c27-20-11-8-17(14-21(20)28)22-12-13-25(30-29-22)35-24(26(32)33)15-23(31)16-6-9-19(10-7-16)34-18-4-2-1-3-5-18/h1-14,24H,15H2,(H,32,33)