2-[4-(1-methyl-6-oxidanylidene-pyridazin-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(1-methyl-6-oxidanylidene-pyridazin-3-yl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(1-methyl-6-oxo-pyridazine-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(1-methyl-6-oxo-3-pyridazinyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(6-keto-1-methyl-pyridazine-3-carbonyl)piperazino]sulfonylbenzonitrile Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CN1C(=O)C=CC(=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C17H17N5O4S/c1-20-16(23)7-6-14(19-20)17(24)21-8-10-22(11-9-21)27(25,26)15-5-3-2-4-13(15)12-18/h2-7H,8-11H2,1H3