5,6-dimethyl-3-oxidanylidene-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]pyridazine-4-carbonitrile

Systemtic Name: 5,6-dimethyl-3-oxidanylidene-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]pyridazine-4-carbonitrile Openeye Name: 5,6-dimethyl-3-oxo-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]pyridazine-4-carbonitrile CAS Name: 5,6-dimethyl-3-oxo-2-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-4-pyridazinecarbonitrile IUPAC Name: 5,6-dimethyl-3-oxo-2-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]pyridazine-4-carbonitrile Traditional Name: 3-keto-5,6-dimethyl-2-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]pyridazine-4-carbonitrile Formula: C16H20N5O3S2+ MolecularWeight: 394.4917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)C#N

InChI

InChI=1S/C16H19N5O3S2/c1-12-13(2)18-21(16(22)14(12)10-17)11-19-5-7-20(8-6-19)26(23,24)15-4-3-9-25-15/h3-4,9H,5-8,11H2,1-2H3/p+1