5-[4-(1,3-benzothiazol-6-ylcarbonyl)piperazin-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one

Systemtic Name: 5-[4-(1,3-benzothiazol-6-ylcarbonyl)piperazin-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one Openeye Name: 5-[4-(1,3-benzothiazole-6-carbonyl)piperazin-1-yl]-4-chloro-2-phenyl-pyridazin-3-one CAS Name: 5-[4-[1,3-benzothiazol-6-yl(oxo)methyl]-1-piperazinyl]-4-chloro-2-phenyl-3-pyridazinone IUPAC Name: 5-[4-(1,3-benzothiazole-6-carbonyl)piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one Traditional Name: 5-[4-(1,3-benzothiazole-6-carbonyl)piperazino]-4-chloro-2-phenyl-pyridazin-3-one Formula: C22H18ClN5O2S MolecularWeight: 451.92862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)C4=CC5=C(C=C4)N=CS5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)C4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C22H18ClN5O2S/c23-20-18(13-25-28(22(20)30)16-4-2-1-3-5-16)26-8-10-27(11-9-26)21(29)15-6-7-17-19(12-15)31-14-24-17/h1-7,12-14H,8-11H2