ethyl 2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanylethanoate Openeye Name: ethyl 2-(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)sulfanylacetate CAS Name: 2-[(4-methyl-1-phenyl-7-pyrazolo[3,4-d]pyridazinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-methyl-1-phenylpyrazolo[3,4-d]pyridazin-7-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-1-phenyl-pyrazolo[3,4-d]pyridazin-7-yl)thio]acetic acid ethyl ester Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(C2=C1N(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)CSC1=NN=C(C2=C1N(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C16H16N4O2S/c1-3-22-14(21)10-23-16-15-13(11(2)18-19-16)9-17-20(15)12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3