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

Systemtic Name: 3-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one Openeye Name: 3-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-2-thienyl]-1H-pyridazin-6-one CAS Name: 3-[5-[[4-(2,5-dimethylphenyl)-1-piperazinyl]sulfonyl]-2-thiophenyl]-1H-pyridazin-6-one IUPAC Name: 3-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one Traditional Name: 3-[5-[4-(2,5-dimethylphenyl)piperazino]sulfonyl-2-thienyl]-1H-pyridazin-6-one Formula: C20H22N4O3S2 MolecularWeight: 430.54368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)C4=NNC(=O)C=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)C4=NNC(=O)C=C4

InChI

InChI=1S/C20H22N4O3S2/c1-14-3-4-15(2)17(13-14)23-9-11-24(12-10-23)29(26,27)20-8-6-18(28-20)16-5-7-19(25)22-21-16/h3-8,13H,9-12H2,1-2H3,(H,22,25)