(6-chloranylpyridazin-4-yl) 3-(2-cyclopropyl-6-methyl-phenoxy)thiophene-2-sulfonate

Systemtic Name: (6-chloranylpyridazin-4-yl) 3-(2-cyclopropyl-6-methyl-phenoxy)thiophene-2-sulfonate Openeye Name: (6-chloropyridazin-4-yl) 3-(2-cyclopropyl-6-methyl-phenoxy)thiophene-2-sulfonate CAS Name: 3-(2-cyclopropyl-6-methylphenoxy)-2-thiophenesulfonic acid (6-chloro-4-pyridazinyl) ester IUPAC Name: (6-chloropyridazin-4-yl) 3-(2-cyclopropyl-6-methylphenoxy)thiophene-2-sulfonate Traditional Name: 3-(2-cyclopropyl-6-methyl-phenoxy)thiophene-2-sulfonic acid (6-chloropyridazin-4-yl) ester Formula: C18H15ClN2O4S2 MolecularWeight: 422.9057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=C(SC=C2)S(=O)(=O)OC3=CC(=NN=C3)Cl)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1OC2=C(SC=C2)S(=O)(=O)OC3=CC(=NN=C3)Cl)C4CC4

InChI

InChI=1S/C18H15ClN2O4S2/c1-11-3-2-4-14(12-5-6-12)17(11)24-15-7-8-26-18(15)27(22,23)25-13-9-16(19)21-20-10-13/h2-4,7-10,12H,5-6H2,1H3