3-[5-[4-(4-ethanoylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[5-[4-(4-ethanoylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one Openeye Name: 3-[5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-2-thienyl]-1H-pyridazin-6-one CAS Name: 3-[5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-2-thiophenyl]-1H-pyridazin-6-one IUPAC Name: 3-[5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one Traditional Name: 3-[5-[4-(4-acetylphenyl)piperazino]sulfonyl-2-thienyl]-1H-pyridazin-6-one Formula: C20H20N4O4S2 MolecularWeight: 444.5272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)C4=NNC(=O)C=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)C4=NNC(=O)C=C4

InChI

InChI=1S/C20H20N4O4S2/c1-14(25)15-2-4-16(5-3-15)23-10-12-24(13-11-23)30(27,28)20-9-7-18(29-20)17-6-8-19(26)22-21-17/h2-9H,10-13H2,1H3,(H,22,26)