5-(3-methylsulfanylpropylamino)-4-oxidanylidene-3H-phthalazin-1-olate

Systemtic Name: 5-(3-methylsulfanylpropylamino)-4-oxidanylidene-3H-phthalazin-1-olate Openeye Name: 5-(3-methylsulfanylpropylamino)-4-oxo-3H-phthalazin-1-olate CAS Name: 5-[3-(methylthio)propylamino]-4-oxo-3H-phthalazin-1-olate IUPAC Name: 5-(3-methylsulfanylpropylamino)-4-oxo-3H-phthalazin-1-olate Traditional Name: 4-keto-5-[3-(methylthio)propylamino]-3H-phthalazin-1-olate Formula: C12H14N3O2S- MolecularWeight: 264.32346

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC1=CC=CC2=C1C(=O)NN=C2[O-]

Isomeric SMILES

CSCCCNC1=CC=CC2=C1C(=O)NN=C2[O-]

InChI

InChI=1S/C12H15N3O2S/c1-18-7-3-6-13-9-5-2-4-8-10(9)12(17)15-14-11(8)16/h2,4-5,13H,3,6-7H2,1H3,(H,14,16)(H,15,17)/p-1