(2S)-2-(benzotriazol-1-yl)-4-bromanyl-1-phenyl-butan-1-one

Systemtic Name: (2S)-2-(benzotriazol-1-yl)-4-bromanyl-1-phenyl-butan-1-one Openeye Name: (2S)-2-(benzotriazol-1-yl)-4-bromo-1-phenyl-butan-1-one CAS Name: (2S)-2-(1-benzotriazolyl)-4-bromo-1-phenyl-1-butanone IUPAC Name: (2S)-2-(benzotriazol-1-yl)-4-bromo-1-phenylbutan-1-one Traditional Name: (2S)-2-(benzotriazol-1-yl)-4-bromo-1-phenyl-butan-1-one Formula: C16H14BrN3O MolecularWeight: 344.20586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(CCBr)N2C3=CC=CC=C3N=N2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)[C@H](CCBr)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H14BrN3O/c17-11-10-15(16(21)12-6-2-1-3-7-12)20-14-9-5-4-8-13(14)18-19-20/h1-9,15H,10-11H2/t15-/m0/s1