(3S)-3-(benzotriazol-1-yl)-4-(4-bromophenyl)butan-2-one

Systemtic Name: (3S)-3-(benzotriazol-1-yl)-4-(4-bromophenyl)butan-2-one Openeye Name: (3S)-3-(benzotriazol-1-yl)-4-(4-bromophenyl)butan-2-one CAS Name: (3S)-3-(1-benzotriazolyl)-4-(4-bromophenyl)-2-butanone IUPAC Name: (3S)-3-(benzotriazol-1-yl)-4-(4-bromophenyl)butan-2-one Traditional Name: (3S)-3-(benzotriazol-1-yl)-4-(4-bromophenyl)butan-2-one Formula: C16H14BrN3O MolecularWeight: 344.20586

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=C(C=C1)Br)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(=O)[C@H](CC1=CC=C(C=C1)Br)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H14BrN3O/c1-11(21)16(10-12-6-8-13(17)9-7-12)20-15-5-3-2-4-14(15)18-19-20/h2-9,16H,10H2,1H3/t16-/m0/s1