(2S)-2-(benzotriazol-1-yl)-2-bromanyl-ethanenitrile

Systemtic Name: (2S)-2-(benzotriazol-1-yl)-2-bromanyl-ethanenitrile Openeye Name: (2S)-2-(benzotriazol-1-yl)-2-bromo-acetonitrile CAS Name: (2S)-2-(1-benzotriazolyl)-2-bromoacetonitrile IUPAC Name: (2S)-2-(benzotriazol-1-yl)-2-bromoacetonitrile Traditional Name: (2S)-2-(benzotriazol-1-yl)-2-bromo-acetonitrile Formula: C8H5BrN4 MolecularWeight: 237.0561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C(C#N)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2[C@H](C#N)Br

InChI

InChI=1S/C8H5BrN4/c9-8(5-10)13-7-4-2-1-3-6(7)11-12-13/h1-4,8H/t8-/m1/s1