2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(2-phenylbutyl)ethanamide

Systemtic Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(2-phenylbutyl)ethanamide Openeye Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(2-phenylbutyl)acetamide CAS Name: 2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]-N-(2-phenylbutyl)acetamide IUPAC Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(2-phenylbutyl)acetamide Traditional Name: 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]-N-(2-phenylbutyl)acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CSC1=NN=C(C=C1)N2C(=CC(=N2)C)C)C3=CC=CC=C3

Isomeric SMILES

CCC(CNC(=O)CSC1=NN=C(C=C1)N2C(=CC(=N2)C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H25N5OS/c1-4-17(18-8-6-5-7-9-18)13-22-20(27)14-28-21-11-10-19(23-24-21)26-16(3)12-15(2)25-26/h5-12,17H,4,13-14H2,1-3H3,(H,22,27)