4-oxidanylidene-5-(thiophen-3-ylmethylamino)-3H-phthalazin-1-olate

Systemtic Name: 4-oxidanylidene-5-(thiophen-3-ylmethylamino)-3H-phthalazin-1-olate Openeye Name: 4-oxo-5-(3-thienylmethylamino)-3H-phthalazin-1-olate CAS Name: 4-oxo-5-(3-thiophenylmethylamino)-3H-phthalazin-1-olate IUPAC Name: 4-oxo-5-(thiophen-3-ylmethylamino)-3H-phthalazin-1-olate Traditional Name: 4-keto-5-(3-thenylamino)-3H-phthalazin-1-olate Formula: C13H10N3O2S- MolecularWeight: 272.3024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NCC3=CSC=C3)C(=O)NN=C2[O-]

Isomeric SMILES

C1=CC2=C(C(=C1)NCC3=CSC=C3)C(=O)NN=C2[O-]

InChI

InChI=1S/C13H11N3O2S/c17-12-9-2-1-3-10(11(9)13(18)16-15-12)14-6-8-4-5-19-7-8/h1-5,7,14H,6H2,(H,15,17)(H,16,18)/p-1