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

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-ethanamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-acetamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[(4-methyl-1-phenyl-7-pyrazolo[3,4-d]pyridazinyl)thio]acetamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-(4-methyl-1-phenylpyrazolo[3,4-d]pyridazin-7-yl)sulfanylacetamide Traditional Name: N-(2-chlorobenzyl)-2-[(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)thio]acetamide Formula: C21H18ClN5OS MolecularWeight: 423.91852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=C1C=NN2C3=CC=CC=C3)SCC(=O)NCC4=CC=CC=C4Cl

Isomeric SMILES

CC1=NN=C(C2=C1C=NN2C3=CC=CC=C3)SCC(=O)NCC4=CC=CC=C4Cl

InChI

InChI=1S/C21H18ClN5OS/c1-14-17-12-24-27(16-8-3-2-4-9-16)20(17)21(26-25-14)29-13-19(28)23-11-15-7-5-6-10-18(15)22/h2-10,12H,11,13H2,1H3,(H,23,28)