4-oxidanylidene-3-[3-oxidanylidene-3-[[2-(thiophen-3-ylmethylsulfanyl)phenyl]amino]propyl]phthalazin-1-olate

Systemtic Name: 4-oxidanylidene-3-[3-oxidanylidene-3-[[2-(thiophen-3-ylmethylsulfanyl)phenyl]amino]propyl]phthalazin-1-olate Openeye Name: 4-oxo-3-[3-oxo-3-[2-(3-thienylmethylsulfanyl)anilino]propyl]phthalazin-1-olate CAS Name: 4-oxo-3-[3-oxo-3-[2-(3-thiophenylmethylthio)anilino]propyl]-1-phthalazinolate IUPAC Name: 4-oxo-3-[3-oxo-3-[2-(thiophen-3-ylmethylsulfanyl)anilino]propyl]phthalazin-1-olate Traditional Name: 4-keto-3-[3-keto-3-[2-(3-thenylthio)anilino]propyl]phthalazin-1-olate Formula: C22H18N3O3S2- MolecularWeight: 436.52662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CCC(=O)NC3=CC=CC=C3SCC4=CSC=C4)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CCC(=O)NC3=CC=CC=C3SCC4=CSC=C4)[O-]

InChI

InChI=1S/C22H19N3O3S2/c26-20(9-11-25-22(28)17-6-2-1-5-16(17)21(27)24-25)23-18-7-3-4-8-19(18)30-14-15-10-12-29-13-15/h1-8,10,12-13H,9,11,14H2,(H,23,26)(H,24,27)/p-1