N-(2,4-dimethylphenyl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(2,4-dimethylphenyl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[[6-[4-(1-imidazolyl)phenyl]-3-pyridazinyl]thio]acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(2,4-dimethylphenyl)-2-[[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]thio]acetamide Formula: C23H21N5OS MolecularWeight: 415.51074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4C=CN=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4C=CN=C4)C

InChI

InChI=1S/C23H21N5OS/c1-16-3-8-20(17(2)13-16)25-22(29)14-30-23-10-9-21(26-27-23)18-4-6-19(7-5-18)28-12-11-24-15-28/h3-13,15H,14H2,1-2H3,(H,25,29)