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

Systemtic Name: N-(phenylmethyl)-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-benzyl-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(phenylmethyl)-2-[[6-(3,4,5-trimethoxyphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-benzyl-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]thio]acetamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(C=C2)SCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(C=C2)SCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4S/c1-27-18-11-16(12-19(28-2)22(18)29-3)17-9-10-21(25-24-17)30-14-20(26)23-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,23,26)