N-(1,3-benzodioxol-5-ylmethyl)-4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[6-(p-tolyl)pyridazin-3-yl]sulfanylmethyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[[6-(4-methylphenyl)-3-pyridazinyl]thio]methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide Traditional Name: N-piperonyl-4-[[[6-(p-tolyl)pyridazin-3-yl]thio]methyl]benzamide Formula: C27H23N3O3S MolecularWeight: 469.55482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H23N3O3S/c1-18-2-7-21(8-3-18)23-11-13-26(30-29-23)34-16-19-4-9-22(10-5-19)27(31)28-15-20-6-12-24-25(14-20)33-17-32-24/h2-14H,15-17H2,1H3,(H,28,31)