2-[4-[1-(1H-benzimidazol-2-yl)-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[1-(1H-benzimidazol-2-yl)-5-chloranyl-6-oxidanylidene-pyridazin-4-yl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[1-(1H-benzimidazol-2-yl)-5-chloro-6-oxo-pyridazin-4-yl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-(1H-benzimidazol-2-yl)-5-chloro-6-oxo-4-pyridazinyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[1-(1H-benzimidazol-2-yl)-5-chloro-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[1-(1H-benzimidazol-2-yl)-5-chloro-6-keto-pyridazin-4-yl]piperazino]sulfonylbenzonitrile Formula: C22H18ClN7O3S MolecularWeight: 495.94142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=NC4=CC=CC=C4N3)Cl)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=NC4=CC=CC=C4N3)Cl)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C22H18ClN7O3S/c23-20-18(14-25-30(21(20)31)22-26-16-6-2-3-7-17(16)27-22)28-9-11-29(12-10-28)34(32,33)19-8-4-1-5-15(19)13-24/h1-8,14H,9-12H2,(H,26,27)