2-[4-[5-ethyl-1-(6-oxidanylidene-1H-pyridazin-3-yl)pyrazol-4-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[5-ethyl-1-(6-oxidanylidene-1H-pyridazin-3-yl)pyrazol-4-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[5-ethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[5-ethyl-1-(6-oxo-1H-pyridazin-3-yl)-4-pyrazolyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[5-ethyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[5-ethyl-1-(6-keto-1H-pyridazin-3-yl)pyrazole-4-carbonyl]piperazino]sulfonylbenzonitrile Formula: C21H21N7O4S MolecularWeight: 467.50094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=NNC(=O)C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CCC1=C(C=NN1C2=NNC(=O)C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H21N7O4S/c1-2-17-16(14-23-28(17)19-7-8-20(29)25-24-19)21(30)26-9-11-27(12-10-26)33(31,32)18-6-4-3-5-15(18)13-22/h3-8,14H,2,9-12H2,1H3,(H,25,29)