1-[(1,4-dimethyl-1,2,3,4-tetrazol-1-ium-5-yl)sulfanyl]propan-2-one

Systemtic Name: 1-[(1,4-dimethyl-1,2,3,4-tetrazol-1-ium-5-yl)sulfanyl]propan-2-one Openeye Name: 1-(1,4-dimethyltetrazol-1-ium-5-yl)sulfanylpropan-2-one CAS Name: 1-[(1,4-dimethyl-5-tetrazol-1-iumyl)thio]-2-propanone IUPAC Name: 1-(1,4-dimethyltetrazol-1-ium-5-yl)sulfanylpropan-2-one Traditional Name: 1-[(1,4-dimethyltetrazol-1-ium-5-yl)thio]acetone Formula: C6H11N4OS+ MolecularWeight: 187.24274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=[N+](N=NN1C)C

Isomeric SMILES

CC(=O)CSC1=[N+](N=NN1C)C

InChI

InChI=1S/C6H11N4OS/c1-5(11)4-12-6-9(2)7-8-10(6)3/h4H2,1-3H3/q+1