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

Systemtic Name: [6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 2-prop-2-enylsulfanylpyridine-3-carboxylate Openeye Name: [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 2-allylsulfanylpyridine-3-carboxylate CAS Name: 2-(prop-2-enylthio)-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-prop-2-enylsulfanylpyridine-3-carboxylate Traditional Name: 2-(allylthio)nicotinic acid [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] ester Formula: C23H20ClN3O3S MolecularWeight: 453.9412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=NN=C(C=C2OC(=O)C3=C(N=CC=C3)SCC=C)Cl)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1OC2=NN=C(C=C2OC(=O)C3=C(N=CC=C3)SCC=C)Cl)C4CC4

InChI

InChI=1S/C23H20ClN3O3S/c1-3-12-31-22-17(8-5-11-25-22)23(28)29-18-13-19(24)26-27-21(18)30-20-14(2)6-4-7-16(20)15-9-10-15/h3-8,11,13,15H,1,9-10,12H2,2H3