1,5-dimethyl-3-phenacylsulfanyl-pyrazolo[3,4-d]pyridazin-4-one

Systemtic Name: 1,5-dimethyl-3-phenacylsulfanyl-pyrazolo[3,4-d]pyridazin-4-one Openeye Name: 1,5-dimethyl-3-phenacylsulfanyl-pyrazolo[3,4-d]pyridazin-4-one CAS Name: 1,5-dimethyl-3-(phenacylthio)-4-pyrazolo[3,4-d]pyridazinone IUPAC Name: 1,5-dimethyl-3-phenacylsulfanylpyrazolo[3,4-d]pyridazin-4-one Traditional Name: 1,5-dimethyl-3-(phenacylthio)pyrazolo[3,4-d]pyridazin-4-one Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=N1)SCC(=O)C3=CC=CC=C3)C(=O)N(N=C2)C

Isomeric SMILES

CN1C2=C(C(=N1)SCC(=O)C3=CC=CC=C3)C(=O)N(N=C2)C

InChI

InChI=1S/C15H14N4O2S/c1-18-11-8-16-19(2)15(21)13(11)14(17-18)22-9-12(20)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3