2-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-acetamide CAS Name: 2-[(3,4-dimethyl-2-phenyl-7-pyrazolo[3,4-d]pyridazinyl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)sulfanylacetamide Traditional Name: N-benzyl-2-[(3,4-dimethyl-2-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)thio]acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5OS/c1-15-20-16(2)27(18-11-7-4-8-12-18)26-21(20)22(25-24-15)29-14-19(28)23-13-17-9-5-3-6-10-17/h3-12H,13-14H2,1-2H3,(H,23,28)