2-(1,3-benzothiazol-2-yl)-4-chloranyl-5-(4-phenylpiperazin-1-yl)pyridazin-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-chloranyl-5-(4-phenylpiperazin-1-yl)pyridazin-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-chloro-5-(4-phenylpiperazin-1-yl)pyridazin-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-chloro-5-(4-phenyl-1-piperazinyl)-3-pyridazinone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-chloro-5-(4-phenylpiperazin-1-yl)pyridazin-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-chloro-5-(4-phenylpiperazino)pyridazin-3-one Formula: C21H18ClN5OS MolecularWeight: 423.91852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5S4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5S4)Cl

InChI

InChI=1S/C21H18ClN5OS/c22-19-17(26-12-10-25(11-13-26)15-6-2-1-3-7-15)14-23-27(20(19)28)21-24-16-8-4-5-9-18(16)29-21/h1-9,14H,10-13H2