2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(4-phenylbutan-2-yl)propanamide

Systemtic Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(4-phenylbutan-2-yl)propanamide Openeye Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(1-methyl-3-phenyl-propyl)propanamide CAS Name: 2-[[6-(3,5-dimethyl-1-pyrazolyl)-3-pyridazinyl]thio]-N-(4-phenylbutan-2-yl)propanamide IUPAC Name: 2-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]sulfanyl-N-(4-phenylbutan-2-yl)propanamide Traditional Name: 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]thio]-N-(1-methyl-3-phenyl-propyl)propionamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NN=C(C=C2)SC(C)C(=O)NC(C)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1C2=NN=C(C=C2)SC(C)C(=O)NC(C)CCC3=CC=CC=C3)C

InChI

InChI=1S/C22H27N5OS/c1-15(10-11-19-8-6-5-7-9-19)23-22(28)18(4)29-21-13-12-20(24-25-21)27-17(3)14-16(2)26-27/h5-9,12-15,18H,10-11H2,1-4H3,(H,23,28)