4-(4-methoxyphenyl)sulfanyl-2-phenyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one

Systemtic Name: 4-(4-methoxyphenyl)sulfanyl-2-phenyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one Openeye Name: 4-(4-methoxyphenyl)sulfanyl-2-phenyl-5-[4-(2-thienylsulfonyl)piperazin-1-yl]pyridazin-3-one CAS Name: 4-[(4-methoxyphenyl)thio]-2-phenyl-5-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-3-pyridazinone IUPAC Name: 4-(4-methoxyphenyl)sulfanyl-2-phenyl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)pyridazin-3-one Traditional Name: 4-[(4-methoxyphenyl)thio]-2-phenyl-5-[4-(2-thienylsulfonyl)piperazino]pyridazin-3-one Formula: C25H24N4O4S3 MolecularWeight: 540.67746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=C(C=NN(C2=O)C3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

COC1=CC=C(C=C1)SC2=C(C=NN(C2=O)C3=CC=CC=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C25H24N4O4S3/c1-33-20-9-11-21(12-10-20)35-24-22(18-26-29(25(24)30)19-6-3-2-4-7-19)27-13-15-28(16-14-27)36(31,32)23-8-5-17-34-23/h2-12,17-18H,13-16H2,1H3