4-(4-bromophenyl)-2-[(2S,3S)-2-phenylmethoxypentan-3-yl]-1,2,4-triazol-3-one

Systemtic Name: 4-(4-bromophenyl)-2-[(2S,3S)-2-phenylmethoxypentan-3-yl]-1,2,4-triazol-3-one Openeye Name: 2-[(1S,2S)-2-benzyloxy-1-ethyl-propyl]-4-(4-bromophenyl)-1,2,4-triazol-3-one CAS Name: 4-(4-bromophenyl)-2-[(2S,3S)-2-phenylmethoxypentan-3-yl]-1,2,4-triazol-3-one IUPAC Name: 4-(4-bromophenyl)-2-[(2S,3S)-2-phenylmethoxypentan-3-yl]-1,2,4-triazol-3-one Traditional Name: 2-[(1S,2S)-2-benzoxy-1-ethyl-propyl]-4-(4-bromophenyl)-1,2,4-triazol-3-one Formula: C20H22BrN3O2 MolecularWeight: 416.31158

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)OCC1=CC=CC=C1)N2C(=O)N(C=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC[C@@H]([C@H](C)OCC1=CC=CC=C1)N2C(=O)N(C=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H22BrN3O2/c1-3-19(15(2)26-13-16-7-5-4-6-8-16)24-20(25)23(14-22-24)18-11-9-17(21)10-12-18/h4-12,14-15,19H,3,13H2,1-2H3/t15-,19-/m0/s1