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

Systemtic Name: [6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-4-pyridazinyl] ester IUPAC Name: [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)pyridazin-4-yl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] ester Formula: C26H20ClN3O3S MolecularWeight: 489.9733

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=NN=C(C=C2OC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4)Cl)C5CC5

Isomeric SMILES

CC1=CC=CC(=C1OC2=NN=C(C=C2OC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4)Cl)C5CC5

InChI

InChI=1S/C26H20ClN3O3S/c1-16-7-5-10-19(17-12-13-17)23(16)33-24-21(15-22(27)29-30-24)32-26(31)20-11-6-14-28-25(20)34-18-8-3-2-4-9-18/h2-11,14-15,17H,12-13H2,1H3