N-(4-chlorophenyl)-2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-chlorophenyl)-2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-ethanamide Openeye Name: N-(4-chlorophenyl)-2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-acetamide CAS Name: N-(4-chlorophenyl)-2-[(4-methyl-1-phenyl-7-pyrazolo[3,4-d]pyridazinyl)thio]acetamide IUPAC Name: N-(4-chlorophenyl)-2-(4-methyl-1-phenylpyrazolo[3,4-d]pyridazin-7-yl)sulfanylacetamide Traditional Name: N-(4-chlorophenyl)-2-[(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)thio]acetamide Formula: C20H16ClN5OS MolecularWeight: 409.89194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=C1C=NN2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NN=C(C2=C1C=NN2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H16ClN5OS/c1-13-17-11-22-26(16-5-3-2-4-6-16)19(17)20(25-24-13)28-12-18(27)23-15-9-7-14(21)8-10-15/h2-11H,12H2,1H3,(H,23,27)