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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4C=CC=N4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4C=CC=N4)C

InChI

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