2-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-oct-3-ynoxy-pyridazin-3-one

Systemtic Name: 2-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-oct-3-ynoxy-pyridazin-3-one Openeye Name: 2-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-oct-3-ynoxy-pyridazin-3-one CAS Name: 2-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-oct-3-ynoxy-3-pyridazinone IUPAC Name: 2-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-4-oct-3-ynoxypyridazin-3-one Traditional Name: 2-(3-chlorophenyl)-5-(4-mesylphenyl)-4-oct-3-ynoxy-pyridazin-3-one Formula: C25H25ClN2O4S MolecularWeight: 484.995

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CCCOC1=C(C=NN(C1=O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCCC#CCCOC1=C(C=NN(C1=O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C25H25ClN2O4S/c1-3-4-5-6-7-8-16-32-24-23(19-12-14-22(15-13-19)33(2,30)31)18-27-28(25(24)29)21-11-9-10-20(26)17-21/h9-15,17-18H,3-5,8,16H2,1-2H3