2-(1,3-benzothiazol-2-yl)-4-(dimethylamino)-5-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]pyridazin-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-(dimethylamino)-5-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]pyridazin-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-(dimethylamino)-5-[3-methyl-4-(p-tolyl)piperazin-1-yl]pyridazin-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-(dimethylamino)-5-[3-methyl-4-(4-methylphenyl)-1-piperazinyl]-3-pyridazinone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(dimethylamino)-5-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]pyridazin-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(dimethylamino)-5-[3-methyl-4-(p-tolyl)piperazino]pyridazin-3-one Formula: C25H28N6OS MolecularWeight: 460.59442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C)C3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5S4)N(C)C

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C)C3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5S4)N(C)C

InChI

InChI=1S/C25H28N6OS/c1-17-9-11-19(12-10-17)30-14-13-29(16-18(30)2)21-15-26-31(24(32)23(21)28(3)4)25-27-20-7-5-6-8-22(20)33-25/h5-12,15,18H,13-14,16H2,1-4H3