2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-1-(5-methyl-3-methylidene-5-oxidanyl-pyrazolidin-1-yl)ethanone

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-1-(5-methyl-3-methylidene-5-oxidanyl-pyrazolidin-1-yl)ethanone Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-1-(5-hydroxy-5-methyl-3-methylene-pyrazolidin-1-yl)ethanone CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-1-(5-hydroxy-5-methyl-3-methylene-1-pyrazolidinyl)ethanone IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-1-(5-hydroxy-5-methyl-3-methylidenepyrazolidin-1-yl)ethanone Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-1-(5-hydroxy-5-methyl-3-methylene-pyrazolidin-1-yl)ethanone Formula: C14H17N4O2S+ MolecularWeight: 305.37538

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C)NN1C(=O)CSC2=[NH+]C3=CC=CC=C3N2)O

Isomeric SMILES

CC1(CC(=C)NN1C(=O)CSC2=[NH+]C3=CC=CC=C3N2)O

InChI

InChI=1S/C14H16N4O2S/c1-9-7-14(2,20)18(17-9)12(19)8-21-13-15-10-5-3-4-6-11(10)16-13/h3-6,17,20H,1,7-8H2,2H3,(H,15,16)/p+1