[6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 1,3-benzothiazole-6-carboxylate Openeye Name: [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-4-pyridazinyl] ester IUPAC Name: [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)pyridazin-4-yl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] ester Formula: C22H16ClN3O3S MolecularWeight: 437.89874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=NN=C(C=C2OC(=O)C3=CC4=C(C=C3)N=CS4)Cl)C5CC5

Isomeric SMILES

CC1=CC=CC(=C1OC2=NN=C(C=C2OC(=O)C3=CC4=C(C=C3)N=CS4)Cl)C5CC5

InChI

InChI=1S/C22H16ClN3O3S/c1-12-3-2-4-15(13-5-6-13)20(12)29-21-17(10-19(23)25-26-21)28-22(27)14-7-8-16-18(9-14)30-11-24-16/h2-4,7-11,13H,5-6H2,1H3