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

Systemtic Name: [(1S,2S)-2-methyl-1-[6-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]butyl]azanium Openeye Name: [(1S,2S)-2-methyl-1-[6-(3-oxo-4H-1,4-benzoxazin-6-yl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]butyl]ammonium CAS Name: [(1S,2S)-2-methyl-1-[6-(3-oxo-4H-1,4-benzoxazin-6-yl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]butyl]ammonium IUPAC Name: [(1S,2S)-2-methyl-1-[6-(3-oxo-4H-1,4-benzoxazin-6-yl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]butyl]azanium Traditional Name: [(1S,2S)-1-[6-(3-keto-4H-1,4-benzoxazin-6-yl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-methyl-butyl]ammonium Formula: C17H21N6O2S+ MolecularWeight: 373.45264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N6O2S/c1-3-9(2)15(18)16-20-21-17-23(16)22-12(8-26-17)10-4-5-13-11(6-10)19-14(24)7-25-13/h4-6,8-9,15,22H,3,7,18H2,1-2H3,(H,19,24)/p+1/t9-,15-/m0/s1