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

Systemtic Name: 1-[(3,5-dimethyl-1,2,3-triazol-3-ium-1-yl)sulfanyl]propan-2-one Openeye Name: 1-(3,5-dimethyltriazol-3-ium-1-yl)sulfanylpropan-2-one CAS Name: 1-[(3,5-dimethyl-1-triazol-3-iumyl)thio]-2-propanone IUPAC Name: 1-(3,5-dimethyltriazol-3-ium-1-yl)sulfanylpropan-2-one Traditional Name: 1-[(3,5-dimethyltriazol-3-ium-1-yl)thio]acetone Formula: C7H12N3OS+ MolecularWeight: 186.25468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=NN1SCC(=O)C)C

Isomeric SMILES

CC1=C[N+](=NN1SCC(=O)C)C

InChI

InChI=1S/C7H12N3OS/c1-6-4-9(3)8-10(6)12-5-7(2)11/h4H,5H2,1-3H3/q+1