4-[4-[(6-oxidanylidene-1H-pyridazin-3-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-[(6-oxidanylidene-1H-pyridazin-3-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(6-oxo-1H-pyridazine-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[oxo-(6-oxo-1H-pyridazin-3-yl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(6-oxo-1H-pyridazine-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(6-keto-1H-pyridazine-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C16H15N5O4S MolecularWeight: 373.3864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NNC(=O)C=C2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=NNC(=O)C=C2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H15N5O4S/c17-11-12-1-3-13(4-2-12)26(24,25)21-9-7-20(8-10-21)16(23)14-5-6-15(22)19-18-14/h1-6H,7-10H2,(H,19,22)