1-[(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-4-phenyl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-4-phenyl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]-4-phenyl-tetrazol-5-one CAS Name: 1-[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-4-phenyl-5-tetrazolone IUPAC Name: 1-[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-4-phenyltetrazol-5-one Traditional Name: 1-[(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]-4-phenyl-tetrazol-5-one Formula: C16H15BrN4O3 MolecularWeight: 391.2193

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)N(N=N2)CC(COC3=CC=C(C=C3)Br)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)N(N=N2)C[C@@H](COC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C16H15BrN4O3/c17-12-6-8-15(9-7-12)24-11-14(22)10-20-16(23)21(19-18-20)13-4-2-1-3-5-13/h1-9,14,22H,10-11H2/t14-/m0/s1