4-methyl-2-[4-(4-methylpiperidin-1-yl)-4-oxidanylidene-butyl]-[1]benzothiolo[2,3-d]pyridazin-1-one

Systemtic Name: 4-methyl-2-[4-(4-methylpiperidin-1-yl)-4-oxidanylidene-butyl]-[1]benzothiolo[2,3-d]pyridazin-1-one Openeye Name: 4-methyl-2-[4-(4-methyl-1-piperidyl)-4-oxo-butyl]benzothiopheno[2,3-d]pyridazin-1-one CAS Name: 4-methyl-2-[4-(4-methyl-1-piperidinyl)-4-oxobutyl]-[1]benzothiolo[2,3-d]pyridazin-1-one IUPAC Name: 4-methyl-2-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]-[1]benzothiolo[2,3-d]pyridazin-1-one Traditional Name: 2-[4-keto-4-(4-methylpiperidino)butyl]-4-methyl-benzothiopheno[2,3-d]pyridazin-1-one Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CCCN2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43

Isomeric SMILES

CC1CCN(CC1)C(=O)CCCN2C(=O)C3=C(C(=N2)C)SC4=CC=CC=C43

InChI

InChI=1S/C21H25N3O2S/c1-14-9-12-23(13-10-14)18(25)8-5-11-24-21(26)19-16-6-3-4-7-17(16)27-20(19)15(2)22-24/h3-4,6-7,14H,5,8-13H2,1-2H3