[(1S)-1-[6-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-3-methyl-butyl]azanium

Systemtic Name: [(1S)-1-[6-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-3-methyl-butyl]azanium Openeye Name: [(1S)-1-[6-[2-(dimethylamino)-2-oxo-ethyl]sulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-3-methyl-butyl]ammonium CAS Name: [(1S)-1-[6-[[2-(dimethylamino)-2-oxoethyl]thio]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-3-methylbutyl]ammonium IUPAC Name: [(1S)-1-[6-[2-(dimethylamino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-3-methylbutyl]azanium Traditional Name: [(1S)-1-[6-[[2-(dimethylamino)-2-keto-ethyl]thio]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-3-methyl-butyl]ammonium Formula: C12H21N6OS2+ MolecularWeight: 329.46474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NN=C2N1N=C(S2)SCC(=O)N(C)C)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C1=NN=C2N1N=C(S2)SCC(=O)N(C)C)[NH3+]

InChI

InChI=1S/C12H20N6OS2/c1-7(2)5-8(13)10-14-15-11-18(10)16-12(21-11)20-6-9(19)17(3)4/h7-8H,5-6,13H2,1-4H3/p+1/t8-/m0/s1