3-[[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 3-[[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[6-(4-chlorophenyl)-3-pyridazinyl]thio]methyl]benzoic acid IUPAC Name: 3-[[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[6-(4-chlorophenyl)pyridazin-3-yl]thio]methyl]benzoic acid Formula: C18H13ClN2O2S MolecularWeight: 356.82602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NN=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NN=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C18H13ClN2O2S/c19-15-6-4-13(5-7-15)16-8-9-17(21-20-16)24-11-12-2-1-3-14(10-12)18(22)23/h1-10H,11H2,(H,22,23)