[(1S)-3-methylsulfanyl-1-[6-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]propyl]azanium

Systemtic Name: [(1S)-3-methylsulfanyl-1-[6-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]propyl]azanium Openeye Name: [(1S)-3-methylsulfanyl-1-[6-(3-oxo-4H-1,4-benzoxazin-6-yl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]propyl]ammonium CAS Name: [(1S)-3-(methylthio)-1-[6-(3-oxo-4H-1,4-benzoxazin-6-yl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]propyl]ammonium IUPAC Name: [(1S)-3-methylsulfanyl-1-[6-(3-oxo-4H-1,4-benzoxazin-6-yl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]propyl]azanium Traditional Name: [(1S)-1-[6-(3-keto-4H-1,4-benzoxazin-6-yl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-3-(methylthio)propyl]ammonium Formula: C16H19N6O2S2+ MolecularWeight: 391.49106

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NN=C2N1NC(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)[NH3+]

Isomeric SMILES

CSCC[C@@H](C1=NN=C2N1NC(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)[NH3+]

InChI

InChI=1S/C16H18N6O2S2/c1-25-5-4-10(17)15-19-20-16-22(15)21-12(8-26-16)9-2-3-13-11(6-9)18-14(23)7-24-13/h2-3,6,8,10,21H,4-5,7,17H2,1H3,(H,18,23)/p+1/t10-/m0/s1