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

Systemtic Name: 2-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide Openeye Name: 2-(3,4-dimethyl-7-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide CAS Name: 2-(3,4-dimethyl-7-oxo-2-phenyl-6-pyrazolo[3,4-d]pyridazinyl)-N-[[4-(methylthio)phenyl]methyl]butanamide IUPAC Name: 2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide Traditional Name: 2-(7-keto-3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-[4-(methylthio)benzyl]butyramide Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=C(C=C1)SC)N2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NCC1=CC=C(C=C1)SC)N2C(=O)C3=NN(C(=C3C(=N2)C)C)C4=CC=CC=C4

InChI

InChI=1S/C25H27N5O2S/c1-5-21(24(31)26-15-18-11-13-20(33-4)14-12-18)30-25(32)23-22(16(2)27-30)17(3)29(28-23)19-9-7-6-8-10-19/h6-14,21H,5,15H2,1-4H3,(H,26,31)