6-(5,6-diphenylpyridazin-3-yl)sulfanylhexanoic acid

Systemtic Name: 6-(5,6-diphenylpyridazin-3-yl)sulfanylhexanoic acid Openeye Name: 6-(5,6-diphenylpyridazin-3-yl)sulfanylhexanoic acid CAS Name: 6-[(5,6-diphenyl-3-pyridazinyl)thio]hexanoic acid IUPAC Name: 6-(5,6-diphenylpyridazin-3-yl)sulfanylhexanoic acid Traditional Name: 6-[(5,6-diphenylpyridazin-3-yl)thio]hexanoic acid Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NN=C2C3=CC=CC=C3)SCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NN=C2C3=CC=CC=C3)SCCCCCC(=O)O

InChI

InChI=1S/C22H22N2O2S/c25-21(26)14-8-3-9-15-27-20-16-19(17-10-4-1-5-11-17)22(24-23-20)18-12-6-2-7-13-18/h1-2,4-7,10-13,16H,3,8-9,14-15H2,(H,25,26)