[3-(carbamimidoylsulfanylmethyl)-4-phenoxy-phenyl]boronic acid hydrobromide

Systemtic Name: [3-(carbamimidoylsulfanylmethyl)-4-phenoxy-phenyl]boronic acid hydrobromide Openeye Name: [3-(carbamimidoylsulfanylmethyl)-4-phenoxy-phenyl]boronic acid hydrobromide CAS Name: [3-[(carbamimidoylthio)methyl]-4-phenoxyphenyl]boronic acid hydrobromide IUPAC Name: [3-(carbamimidoylsulfanylmethyl)-4-phenoxyphenyl]boronic acid hydrobromide Traditional Name: [3-[(amidinothio)methyl]-4-phenoxy-phenyl]boronic acid hydrobromide Formula: C14H16BBrN2O3S MolecularWeight: 383.06844

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=C(C=C1)OC2=CC=CC=C2)CSC(=N)N)(O)O.Br

Isomeric SMILES

B(C1=CC(=C(C=C1)OC2=CC=CC=C2)CSC(=N)N)(O)O.Br

InChI

InChI=1S/C14H15BN2O3S.BrH/c16-14(17)21-9-10-8-11(15(18)19)6-7-13(10)20-12-4-2-1-3-5-12;/h1-8,18-19H,9H2,(H3,16,17);1H