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

Systemtic Name: 3-[[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Openeye Name: 3-[[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylmethyl]-N-isobutyl-benzamide CAS Name: 3-[[[6-(4-chlorophenyl)-3-pyridazinyl]thio]methyl]-N-(2-methylpropyl)benzamide IUPAC Name: 3-[[6-(4-chlorophenyl)pyridazin-3-yl]sulfanylmethyl]-N-(2-methylpropyl)benzamide Traditional Name: 3-[[[6-(4-chlorophenyl)pyridazin-3-yl]thio]methyl]-N-isobutyl-benzamide Formula: C22H22ClN3OS MolecularWeight: 411.94758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3OS/c1-15(2)13-24-22(27)18-5-3-4-16(12-18)14-28-21-11-10-20(25-26-21)17-6-8-19(23)9-7-17/h3-12,15H,13-14H2,1-2H3,(H,24,27)