N-(phenylmethyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(phenylmethyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-benzyl-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(phenylmethyl)-2-[[6-[4-(1-pyrazolyl)phenyl]-3-pyridazinyl]thio]acetamide IUPAC Name: N-benzyl-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]thio]acetamide Formula: C22H19N5OS MolecularWeight: 401.48416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H19N5OS/c28-21(23-15-17-5-2-1-3-6-17)16-29-22-12-11-20(25-26-22)18-7-9-19(10-8-18)27-14-4-13-24-27/h1-14H,15-16H2,(H,23,28)