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

Systemtic Name: 2-(3,4-dimethyl-7-oxidanylidene-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-[(4-methylsulfanylphenyl)methyl]ethanamide Openeye Name: 2-(3,4-dimethyl-7-oxo-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide CAS Name: 2-(3,4-dimethyl-7-oxo-2-phenyl-6-pyrazolo[3,4-d]pyridazinyl)-N-[[4-(methylthio)phenyl]methyl]acetamide IUPAC Name: 2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide Traditional Name: 2-(7-keto-3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-6-yl)-N-[4-(methylthio)benzyl]acetamide Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O2S/c1-15-21-16(2)28(18-7-5-4-6-8-18)26-22(21)23(30)27(25-15)14-20(29)24-13-17-9-11-19(31-3)12-10-17/h4-12H,13-14H2,1-3H3,(H,24,29)