2-(3,7-dimethyl-4-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-(3-methylsulfanylphenyl)butanamide

Systemtic Name: 2-(3,7-dimethyl-4-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-(3-methylsulfanylphenyl)butanamide Openeye Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-(3-methylsulfanylphenyl)butanamide CAS Name: 2-(3,7-dimethyl-4-oxo-2-phenyl-5-pyrazolo[3,4-d]pyridazinyl)-N-[3-(methylthio)phenyl]butanamide IUPAC Name: 2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)-N-(3-methylsulfanylphenyl)butanamide Traditional Name: 2-(4-keto-3,7-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-5-yl)-N-[3-(methylthio)phenyl]butyramide Formula: C24H25N5O2S MolecularWeight: 447.5526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC=C1)SC)N2C(=O)C3=C(N(N=C3C(=N2)C)C4=CC=CC=C4)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC=C1)SC)N2C(=O)C3=C(N(N=C3C(=N2)C)C4=CC=CC=C4)C

InChI

InChI=1S/C24H25N5O2S/c1-5-20(23(30)25-17-10-9-13-19(14-17)32-4)29-24(31)21-16(3)28(18-11-7-6-8-12-18)27-22(21)15(2)26-29/h6-14,20H,5H2,1-4H3,(H,25,30)