5-[(4-methylsulfanylphenyl)methylideneamino]-4-oxidanylidene-3H-phthalazin-1-olate

Systemtic Name: 5-[(4-methylsulfanylphenyl)methylideneamino]-4-oxidanylidene-3H-phthalazin-1-olate Openeye Name: 5-[(4-methylsulfanylphenyl)methyleneamino]-4-oxo-3H-phthalazin-1-olate CAS Name: 5-[[4-(methylthio)phenyl]methylideneamino]-4-oxo-3H-phthalazin-1-olate IUPAC Name: 5-[(4-methylsulfanylphenyl)methylideneamino]-4-oxo-3H-phthalazin-1-olate Traditional Name: 4-keto-5-[[4-(methylthio)benzylidene]amino]-3H-phthalazin-1-olate Formula: C16H12N3O2S- MolecularWeight: 310.35038

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=NC2=CC=CC3=C2C(=O)NN=C3[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)C=NC2=CC=CC3=C2C(=O)NN=C3[O-]

InChI

InChI=1S/C16H13N3O2S/c1-22-11-7-5-10(6-8-11)9-17-13-4-2-3-12-14(13)16(21)19-18-15(12)20/h2-9H,1H3,(H,18,20)(H,19,21)/p-1