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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxidanylidene-pyridazin-1-yl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[6-oxo-3-(p-tolylsulfanyl)pyridazin-1-yl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[3-[(4-methylphenyl)thio]-6-oxo-1-pyridazinyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide Traditional Name: 4-[6-keto-3-(p-tolylthio)pyridazin-1-yl]-N-piperonyl-benzamide Formula: C26H21N3O4S MolecularWeight: 471.52764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NN(C(=O)C=C2)C3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H21N3O4S/c1-17-2-9-21(10-3-17)34-24-12-13-25(30)29(28-24)20-7-5-19(6-8-20)26(31)27-15-18-4-11-22-23(14-18)33-16-32-22/h2-14H,15-16H2,1H3,(H,27,31)