3-(2-methylbut-3-yn-2-yl)-6-methylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium

Systemtic Name: 3-(2-methylbut-3-yn-2-yl)-6-methylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium Openeye Name: 3-(1,1-dimethylprop-2-ynyl)-6-methylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium CAS Name: 3-(2-methylbut-3-yn-2-yl)-6-(methylthio)-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium IUPAC Name: 3-(2-methylbut-3-yn-2-yl)-6-methylsulfanyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium Traditional Name: 3-(1,1-dimethylprop-2-ynyl)-6-(methylthio)-1,2,3,4-tetrahydro-s-triazin-3-ium Formula: C9H16N3S+ MolecularWeight: 198.30844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)[NH+]1CNC(=NC1)SC

Isomeric SMILES

CC(C)(C#C)[NH+]1CNC(=NC1)SC

InChI

InChI=1S/C9H15N3S/c1-5-9(2,3)12-6-10-8(13-4)11-7-12/h1H,6-7H2,2-4H3,(H,10,11)/p+1