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

Systemtic Name: 2-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-[(4-methylsulfanylphenyl)methyl]propanamide Openeye Name: 2-(3,4-dimethyl-7-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-[(4-methylsulfanylphenyl)methyl]propanamide CAS Name: 2-(3,4-dimethyl-7-oxo-2-phenyl-6-pyrazolo[3,4-d]pyridazinyl)-N-[[4-(methylthio)phenyl]methyl]propanamide IUPAC Name: 2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(4-methylsulfanylphenyl)methyl]propanamide Traditional Name: 2-(7-keto-3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-[4-(methylthio)benzyl]propionamide 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)C(C)C(=O)NCC4=CC=C(C=C4)SC)C

Isomeric SMILES

CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)C(C)C(=O)NCC4=CC=C(C=C4)SC)C

InChI

InChI=1S/C24H25N5O2S/c1-15-21-16(2)28(19-8-6-5-7-9-19)27-22(21)24(31)29(26-15)17(3)23(30)25-14-18-10-12-20(32-4)13-11-18/h5-13,17H,14H2,1-4H3,(H,25,30)