4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]-1,2,4-triazole-3-carbonitrile Openeye Name: 4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]-1,2,4-triazole-3-carbonitrile CAS Name: 4-[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]-1,2,4-triazole-3-carbonitrile Traditional Name: 4-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]-1,2,4-triazole-3-carbonitrile Formula: C13H16N7O2S+ MolecularWeight: 334.37684

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3C=NN=C3C#N

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3C=NN=C3C#N

InChI

InChI=1S/C13H15N7O2S/c1-18-4-6-19(7-5-18)23(21,22)11-2-3-12(15-9-11)20-10-16-17-13(20)8-14/h2-3,9-10H,4-7H2,1H3/p+1