N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanyl-acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[(4-methyl-1-phenyl-7-pyrazolo[3,4-d]pyridazinyl)thio]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methyl-1-phenylpyrazolo[3,4-d]pyridazin-7-yl)sulfanylacetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)thio]acetamide Formula: C18H16N6O2S MolecularWeight: 380.42364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSC2=NN=C(C3=C2N(N=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSC2=NN=C(C3=C2N(N=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C18H16N6O2S/c1-11-8-15(23-26-11)20-16(25)10-27-18-17-14(12(2)21-22-18)9-19-24(17)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,20,23,25)