[5-[(4-azanyl-1,2,4-triazol-4-ium-1-yl)methyl]-1-benzothiophen-2-yl]boronic acid

Systemtic Name: [5-[(4-azanyl-1,2,4-triazol-4-ium-1-yl)methyl]-1-benzothiophen-2-yl]boronic acid Openeye Name: [5-[(4-amino-1,2,4-triazol-4-ium-1-yl)methyl]benzothiophen-2-yl]boronic acid CAS Name: [5-[(4-amino-1,2,4-triazol-4-ium-1-yl)methyl]-1-benzothiophen-2-yl]boronic acid IUPAC Name: [5-[(4-amino-1,2,4-triazol-4-ium-1-yl)methyl]-1-benzothiophen-2-yl]boronic acid Traditional Name: [5-[(4-amino-1,2,4-triazol-4-ium-1-yl)methyl]benzothiophen-2-yl]boronic acid Formula: C11H12BN4O2S+ MolecularWeight: 275.11458

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC2=C(S1)C=CC(=C2)CN3C=[N+](C=N3)N)(O)O

Isomeric SMILES

B(C1=CC2=C(S1)C=CC(=C2)CN3C=[N+](C=N3)N)(O)O

InChI

InChI=1S/C11H12BN4O2S/c13-15-6-14-16(7-15)5-8-1-2-10-9(3-8)4-11(19-10)12(17)18/h1-4,6-7,17-18H,5,13H2/q+1