N-tert-butyl-2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-ethanamide Openeye Name: N-tert-butyl-2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-acetamide CAS Name: N-tert-butyl-2-[(4-methyl-1-phenyl-7-pyrazolo[3,4-d]pyridazinyl)thio]acetamide IUPAC Name: N-tert-butyl-2-(4-methyl-1-phenylpyrazolo[3,4-d]pyridazin-7-yl)sulfanylacetamide Traditional Name: N-tert-butyl-2-[(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)thio]acetamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=C1C=NN2C3=CC=CC=C3)SCC(=O)NC(C)(C)C

Isomeric SMILES

CC1=NN=C(C2=C1C=NN2C3=CC=CC=C3)SCC(=O)NC(C)(C)C

InChI

InChI=1S/C18H21N5OS/c1-12-14-10-19-23(13-8-6-5-7-9-13)16(14)17(22-21-12)25-11-15(24)20-18(2,3)4/h5-10H,11H2,1-4H3,(H,20,24)