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

Systemtic Name: 3-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Openeye Name: N-isobutyl-3-[[6-(p-tolyl)pyridazin-3-yl]sulfanylmethyl]benzamide CAS Name: 3-[[[6-(4-methylphenyl)-3-pyridazinyl]thio]methyl]-N-(2-methylpropyl)benzamide IUPAC Name: 3-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Traditional Name: N-isobutyl-3-[[[6-(p-tolyl)pyridazin-3-yl]thio]methyl]benzamide Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC3=CC=CC(=C3)C(=O)NCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C=C2)SCC3=CC=CC(=C3)C(=O)NCC(C)C

InChI

InChI=1S/C23H25N3OS/c1-16(2)14-24-23(27)20-6-4-5-18(13-20)15-28-22-12-11-21(25-26-22)19-9-7-17(3)8-10-19/h4-13,16H,14-15H2,1-3H3,(H,24,27)