2-(ethylamino)-6-(4-isothiocyanatobutyl)-3-oxidanidyl-phthalazin-3-ium-1-one

Systemtic Name: 2-(ethylamino)-6-(4-isothiocyanatobutyl)-3-oxidanidyl-phthalazin-3-ium-1-one Openeye Name: 2-(ethylamino)-6-(4-isothiocyanatobutyl)-3-oxido-phthalazin-3-ium-1-one CAS Name: 2-(ethylamino)-6-(4-isothiocyanatobutyl)-3-oxido-1-phthalazin-3-iumone IUPAC Name: 2-(ethylamino)-6-(4-isothiocyanatobutyl)-3-oxidophthalazin-3-ium-1-one Traditional Name: 2-(ethylamino)-6-(4-isothiocyanatobutyl)-3-oxido-phthalazin-3-ium-1-one Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CCNN1C(=O)C2=C(C=C(C=C2)CCCCN=C=S)C=[N+]1[O-]

Isomeric SMILES

CCNN1C(=O)C2=C(C=C(C=C2)CCCCN=C=S)C=[N+]1[O-]

InChI

InChI=1S/C15H18N4O2S/c1-2-17-19-15(20)14-7-6-12(5-3-4-8-16-11-22)9-13(14)10-18(19)21/h6-7,9-10,17H,2-5,8H2,1H3