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

Systemtic Name: [(1S)-1-[6-(4-bromophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-3-methyl-butyl]azanium Openeye Name: [(1S)-1-[6-(4-bromophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-3-methyl-butyl]ammonium CAS Name: [(1S)-1-[6-(4-bromophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-3-methylbutyl]ammonium IUPAC Name: [(1S)-1-[6-(4-bromophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-3-methylbutyl]azanium Traditional Name: [(1S)-1-[6-(4-bromophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-3-methyl-butyl]ammonium Formula: C15H19BrN5S+ MolecularWeight: 381.31386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NN=C2N1NC(=CS2)C3=CC=C(C=C3)Br)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C1=NN=C2N1NC(=CS2)C3=CC=C(C=C3)Br)[NH3+]

InChI

InChI=1S/C15H18BrN5S/c1-9(2)7-12(17)14-18-19-15-21(14)20-13(8-22-15)10-3-5-11(16)6-4-10/h3-6,8-9,12,20H,7,17H2,1-2H3/p+1/t12-/m0/s1