2-[(2R,3S)-2-bromanyl-3-(5-methyl-1,2,3,4-tetrazol-1-yl)-3-phenyl-propoxy]ethanenitrile

Systemtic Name: 2-[(2R,3S)-2-bromanyl-3-(5-methyl-1,2,3,4-tetrazol-1-yl)-3-phenyl-propoxy]ethanenitrile Openeye Name: 2-[(2R,3S)-2-bromo-3-(5-methyltetrazol-1-yl)-3-phenyl-propoxy]acetonitrile CAS Name: 2-[(2R,3S)-2-bromo-3-(5-methyl-1-tetrazolyl)-3-phenylpropoxy]acetonitrile IUPAC Name: 2-[(2R,3S)-2-bromo-3-(5-methyltetrazol-1-yl)-3-phenylpropoxy]acetonitrile Traditional Name: 2-[(2R,3S)-2-bromo-3-(5-methyltetrazol-1-yl)-3-phenyl-propoxy]acetonitrile Formula: C13H14BrN5O MolecularWeight: 336.18716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=NN1C(C2=CC=CC=C2)C(COCC#N)Br

Isomeric SMILES

CC1=NN=NN1[C@@H](C2=CC=CC=C2)[C@H](COCC#N)Br

InChI

InChI=1S/C13H14BrN5O/c1-10-16-17-18-19(10)13(11-5-3-2-4-6-11)12(14)9-20-8-7-15/h2-6,12-13H,8-9H2,1H3/t12-,13-/m0/s1