dimethyl-[2-[[(3S)-3-methylsulfanyl-5-oxidanylidene-2,4-dihydro-1,2,4-triazin-3-yl]azaniumyl]ethyl]azanium

Systemtic Name: dimethyl-[2-[[(3S)-3-methylsulfanyl-5-oxidanylidene-2,4-dihydro-1,2,4-triazin-3-yl]azaniumyl]ethyl]azanium Openeye Name: dimethyl-[2-[[(3S)-3-methylsulfanyl-5-oxo-2,4-dihydro-1,2,4-triazin-3-yl]ammonio]ethyl]ammonium CAS Name: dimethyl-[2-[[(3S)-3-(methylthio)-5-oxo-2,4-dihydro-1,2,4-triazin-3-yl]ammonio]ethyl]ammonium IUPAC Name: dimethyl-[2-[[(3S)-3-methylsulfanyl-5-oxo-2,4-dihydro-1,2,4-triazin-3-yl]azaniumyl]ethyl]azanium Traditional Name: 2-[[(3S)-5-keto-3-(methylthio)-2,4-dihydro-1,2,4-triazin-3-yl]ammonio]ethyl-dimethyl-ammonium Formula: C8H19N5OS+2 MolecularWeight: 233.33436

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH2+]C1(NC(=O)C=NN1)SC

Isomeric SMILES

C[NH+](C)CC[NH2+][C@]1(NC(=O)C=NN1)SC

InChI

InChI=1S/C8H17N5OS/c1-13(2)5-4-9-8(15-3)11-7(14)6-10-12-8/h6,9,12H,4-5H2,1-3H3,(H,11,14)/p+2/t8-/m1/s1