3-[2-(3-butylsulfonylpropylamino)-2,3-dihydro-1H-inden-5-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[2-(3-butylsulfonylpropylamino)-2,3-dihydro-1H-inden-5-yl]-1H-pyridazin-6-one Openeye Name: 3-[2-(3-butylsulfonylpropylamino)indan-5-yl]-1H-pyridazin-6-one CAS Name: 3-[2-(3-butylsulfonylpropylamino)-2,3-dihydro-1H-inden-5-yl]-1H-pyridazin-6-one IUPAC Name: 3-[2-(3-butylsulfonylpropylamino)-2,3-dihydro-1H-inden-5-yl]-1H-pyridazin-6-one Traditional Name: 3-[2-(3-butylsulfonylpropylamino)indan-5-yl]-1H-pyridazin-6-one Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)CCCNC1CC2=C(C1)C=C(C=C2)C3=NNC(=O)C=C3

Isomeric SMILES

CCCCS(=O)(=O)CCCNC1CC2=C(C1)C=C(C=C2)C3=NNC(=O)C=C3

InChI

InChI=1S/C20H27N3O3S/c1-2-3-10-27(25,26)11-4-9-21-18-13-15-5-6-16(12-17(15)14-18)19-7-8-20(24)23-22-19/h5-8,12,18,21H,2-4,9-11,13-14H2,1H3,(H,23,24)