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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[6-[4-(1-pyrazolyl)phenyl]-3-pyridazinyl]thio]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(2,3-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=C(C(=CC=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)N4C=CC=N4)C

Isomeric SMILES

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

InChI

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