4-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-(3-methylsulfanylphenyl)butanamide

Systemtic Name: 4-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-(3-methylsulfanylphenyl)butanamide Openeye Name: 4-(3,4-dimethyl-7-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-(3-methylsulfanylphenyl)butanamide CAS Name: 4-(3,4-dimethyl-7-oxo-2-phenyl-6-pyrazolo[3,4-d]pyridazinyl)-N-[3-(methylthio)phenyl]butanamide IUPAC Name: 4-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(3-methylsulfanylphenyl)butanamide Traditional Name: 4-(7-keto-3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-[3-(methylthio)phenyl]butyramide Formula: C24H25N5O2S MolecularWeight: 447.5526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)CCCC(=O)NC4=CC(=CC=C4)SC)C

Isomeric SMILES

CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)CCCC(=O)NC4=CC(=CC=C4)SC)C

InChI

InChI=1S/C24H25N5O2S/c1-16-22-17(2)29(19-10-5-4-6-11-19)27-23(22)24(31)28(26-16)14-8-13-21(30)25-18-9-7-12-20(15-18)32-3/h4-7,9-12,15H,8,13-14H2,1-3H3,(H,25,30)