N-(1,3-benzodioxol-5-yl)-2-[6-(2-methylphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[6-(2-methylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[6-(o-tolyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[6-(2-methylphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[6-(2-methylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[6-(o-tolyl)pyridazin-3-yl]thio]acetamide Formula: C20H17N3O3S MolecularWeight: 379.43228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(C=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17N3O3S/c1-13-4-2-3-5-15(13)16-7-9-20(23-22-16)27-11-19(24)21-14-6-8-17-18(10-14)26-12-25-17/h2-10H,11-12H2,1H3,(H,21,24)