6-methyl-1-phenyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonyl-pyridazin-4-one

Systemtic Name: 6-methyl-1-phenyl-3-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonyl-pyridazin-4-one Openeye Name: 6-methyl-1-phenyl-3-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]pyridazin-4-one CAS Name: 6-methyl-3-[oxo-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]-1-phenyl-4-pyridazinone IUPAC Name: 6-methyl-1-phenyl-3-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyridazin-4-one Traditional Name: 6-methyl-1-phenyl-3-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]pyridazin-4-one Formula: C20H20N4O4S2 MolecularWeight: 444.5272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

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