4-methyl-2-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-[1]benzothiolo[2,3-d]pyridazin-1-one

Systemtic Name: 4-methyl-2-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-[1]benzothiolo[2,3-d]pyridazin-1-one Openeye Name: 4-methyl-2-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]benzothiopheno[2,3-d]pyridazin-1-one CAS Name: 4-methyl-2-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-[1]benzothiolo[2,3-d]pyridazin-1-one IUPAC Name: 4-methyl-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-[1]benzothiolo[2,3-d]pyridazin-1-one Traditional Name: 2-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-4-methyl-benzothiopheno[2,3-d]pyridazin-1-one Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=C1SC3=CC=CC=C32)CC(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC1=NN(C(=O)C2=C1SC3=CC=CC=C32)CC(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C22H21N5O2S/c1-15-21-20(16-6-2-3-7-17(16)30-21)22(29)27(24-15)14-19(28)26-12-10-25(11-13-26)18-8-4-5-9-23-18/h2-9H,10-14H2,1H3