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

Systemtic Name: N-(2-ethoxyphenyl)-2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-ethanamide Openeye Name: N-(2-ethoxyphenyl)-2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-acetamide CAS Name: N-(2-ethoxyphenyl)-2-[(4-methyl-1-phenyl-7-pyrazolo[3,4-d]pyridazinyl)thio]acetamide IUPAC Name: N-(2-ethoxyphenyl)-2-(4-methyl-1-phenylpyrazolo[3,4-d]pyridazin-7-yl)sulfanylacetamide Traditional Name: 2-[(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)thio]-N-o-phenetyl-acetamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(C3=C2N(N=C3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(C3=C2N(N=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H21N5O2S/c1-3-29-19-12-8-7-11-18(19)24-20(28)14-30-22-21-17(15(2)25-26-22)13-23-27(21)16-9-5-4-6-10-16/h4-13H,3,14H2,1-2H3,(H,24,28)