6-(4-methylphenyl)-2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]pyridazin-3-one

Systemtic Name: 6-(4-methylphenyl)-2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]pyridazin-3-one Openeye Name: 6-(p-tolyl)-2-[2-[4-(2-thienylsulfonyl)piperazin-1-yl]ethyl]pyridazin-3-one CAS Name: 6-(4-methylphenyl)-2-[2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethyl]-3-pyridazinone IUPAC Name: 6-(4-methylphenyl)-2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]pyridazin-3-one Traditional Name: 6-(p-tolyl)-2-[2-[4-(2-thienylsulfonyl)piperazino]ethyl]pyridazin-3-one Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H24N4O3S2/c1-17-4-6-18(7-5-17)19-8-9-20(26)25(22-19)15-12-23-10-13-24(14-11-23)30(27,28)21-3-2-16-29-21/h2-9,16H,10-15H2,1H3