2-(1H-benzimidazol-2-yl)-4-chloranyl-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pyridazin-3-one

Systemtic Name: 2-(1H-benzimidazol-2-yl)-4-chloranyl-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pyridazin-3-one Openeye Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[4-(3-thienylmethyl)piperazin-1-yl]pyridazin-3-one CAS Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[4-(3-thiophenylmethyl)-1-piperazinyl]-3-pyridazinone IUPAC Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pyridazin-3-one Traditional Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[4-(3-thenyl)piperazino]pyridazin-3-one Formula: C20H19ClN6OS MolecularWeight: 426.92246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)C3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5N4)Cl

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)C3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5N4)Cl

InChI

InChI=1S/C20H19ClN6OS/c21-18-17(26-8-6-25(7-9-26)12-14-5-10-29-13-14)11-22-27(19(18)28)20-23-15-3-1-2-4-16(15)24-20/h1-5,10-11,13H,6-9,12H2,(H,23,24)