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

Systemtic Name: 5,6-dimethyl-3-oxidanylidene-2-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]pyridazine-4-carbonitrile Openeye Name: 5,6-dimethyl-3-oxo-2-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]pyridazine-4-carbonitrile CAS Name: 5,6-dimethyl-3-oxo-2-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]methyl]-4-pyridazinecarbonitrile IUPAC Name: 5,6-dimethyl-3-oxo-2-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]pyridazine-4-carbonitrile Traditional Name: 3-keto-5,6-dimethyl-2-[[4-(2-thenoyl)piperazin-1-ium-1-yl]methyl]pyridazine-4-carbonitrile Formula: C17H20N5O2S+ MolecularWeight: 358.438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O2S/c1-12-13(2)19-22(16(23)14(12)10-18)11-20-5-7-21(8-6-20)17(24)15-4-3-9-25-15/h3-4,9H,5-8,11H2,1-2H3/p+1