N-(3-chloranyl-2-methyl-phenyl)-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[[6-(3,4,5-trimethoxyphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]thio]acetamide Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C22H22ClN3O4S/c1-13-15(23)6-5-7-16(13)24-20(27)12-31-21-9-8-17(25-26-21)14-10-18(28-2)22(30-4)19(11-14)29-3/h5-11H,12H2,1-4H3,(H,24,27)