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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(2-methylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(o-tolyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[6-(2-methylphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(2-methylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: 2-[[6-(o-tolyl)pyridazin-3-yl]thio]-N-piperonyl-acetamide Formula: C21H19N3O3S MolecularWeight: 393.45886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(C=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(C=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19N3O3S/c1-14-4-2-3-5-16(14)17-7-9-21(24-23-17)28-12-20(25)22-11-15-6-8-18-19(10-15)27-13-26-18/h2-10H,11-13H2,1H3,(H,22,25)