3-[5,5-bis(oxidanylidene)dibenzothiophen-2-yl]-5-[(phenylmethyl)amino]-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 3-[5,5-bis(oxidanylidene)dibenzothiophen-2-yl]-5-[(phenylmethyl)amino]-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 5-(benzylamino)-3-(5,5-dioxodibenzothiophen-2-yl)-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-(5,5-dioxo-2-dibenzothiophenyl)-5-[(phenylmethyl)amino]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 5-(benzylamino)-3-(5,5-dioxodibenzothiophen-2-yl)-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 5-(benzylamino)-3-(5,5-diketodibenzothiophen-2-yl)-4,5-dihydro-1H-pyridazin-6-one Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NN=C1C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C43)NCC5=CC=CC=C5

Isomeric SMILES

C1C(C(=O)NN=C1C2=CC3=C(C=C2)S(=O)(=O)C4=CC=CC=C43)NCC5=CC=CC=C5

InChI

InChI=1S/C23H19N3O3S/c27-23-20(24-14-15-6-2-1-3-7-15)13-19(25-26-23)16-10-11-22-18(12-16)17-8-4-5-9-21(17)30(22,28)29/h1-12,20,24H,13-14H2,(H,26,27)