3-[[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide

Systemtic Name: 3-[[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Openeye Name: N-isobutyl-3-[[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide CAS Name: 3-[[[6-(4-methoxyphenyl)-3-pyridazinyl]thio]methyl]-N-(2-methylpropyl)benzamide IUPAC Name: 3-[[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Traditional Name: N-isobutyl-3-[[[6-(4-methoxyphenyl)pyridazin-3-yl]thio]methyl]benzamide Formula: C23H25N3O2S MolecularWeight: 407.5285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=CC=C1)CSC2=NN=C(C=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=CC=C1)CSC2=NN=C(C=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H25N3O2S/c1-16(2)14-24-23(27)19-6-4-5-17(13-19)15-29-22-12-11-21(25-26-22)18-7-9-20(28-3)10-8-18/h4-13,16H,14-15H2,1-3H3,(H,24,27)