3-[2-azanyl-3-(4-methylphenyl)sulfonyl-7-oxidanylidene-6H-pyrrolo[2,3-d]pyridazin-1-yl]propyl-diethyl-azanium

Systemtic Name: 3-[2-azanyl-3-(4-methylphenyl)sulfonyl-7-oxidanylidene-6H-pyrrolo[2,3-d]pyridazin-1-yl]propyl-diethyl-azanium Openeye Name: 3-[2-amino-7-oxo-3-(p-tolylsulfonyl)-6H-pyrrolo[2,3-d]pyridazin-1-yl]propyl-diethyl-ammonium CAS Name: 3-[2-amino-3-(4-methylphenyl)sulfonyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-1-yl]propyl-diethylammonium IUPAC Name: 3-[2-amino-3-(4-methylphenyl)sulfonyl-7-oxo-6H-pyrrolo[2,3-d]pyridazin-1-yl]propyl-diethylazanium Traditional Name: 3-(2-amino-7-keto-3-tosyl-6H-pyrrolo[2,3-d]pyridazin-1-yl)propyl-diethyl-ammonium Formula: C20H28N5O3S+ MolecularWeight: 418.53302

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C2=C(C=NNC2=O)C(=C1N)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC[NH+](CC)CCCN1C2=C(C=NNC2=O)C(=C1N)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H27N5O3S/c1-4-24(5-2)11-6-12-25-17-16(13-22-23-20(17)26)18(19(25)21)29(27,28)15-9-7-14(3)8-10-15/h7-10,13H,4-6,11-12,21H2,1-3H3,(H,23,26)/p+1