1,5-dimethyl-3-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyridazin-4-one

Systemtic Name: 1,5-dimethyl-3-(phenylmethylsulfanyl)pyrazolo[3,4-d]pyridazin-4-one Openeye Name: 3-benzylsulfanyl-1,5-dimethyl-pyrazolo[3,4-d]pyridazin-4-one CAS Name: 1,5-dimethyl-3-(phenylmethylthio)-4-pyrazolo[3,4-d]pyridazinone IUPAC Name: 3-benzylsulfanyl-1,5-dimethylpyrazolo[3,4-d]pyridazin-4-one Traditional Name: 3-(benzylthio)-1,5-dimethyl-pyrazolo[3,4-d]pyridazin-4-one Formula: C14H14N4OS MolecularWeight: 286.35216

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=N1)SCC3=CC=CC=C3)C(=O)N(N=C2)C

Isomeric SMILES

CN1C2=C(C(=N1)SCC3=CC=CC=C3)C(=O)N(N=C2)C

InChI

InChI=1S/C14H14N4OS/c1-17-11-8-15-18(2)14(19)12(11)13(16-17)20-9-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3