(2S,3R)-2-(1H-benzimidazol-2-yl)-2,3-bis(bromanyl)-3-phenyl-propanenitrile

Systemtic Name: (2S,3R)-2-(1H-benzimidazol-2-yl)-2,3-bis(bromanyl)-3-phenyl-propanenitrile Openeye Name: (2S,3R)-2-(1H-benzimidazol-2-yl)-2,3-dibromo-3-phenyl-propanenitrile CAS Name: (2S,3R)-2-(1H-benzimidazol-2-yl)-2,3-dibromo-3-phenylpropanenitrile IUPAC Name: (2S,3R)-2-(1H-benzimidazol-2-yl)-2,3-dibromo-3-phenylpropanenitrile Traditional Name: (2S,3R)-2-(1H-benzimidazol-2-yl)-2,3-dibromo-3-phenyl-propionitrile Formula: C16H11Br2N3 MolecularWeight: 405.08664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C#N)(C2=NC3=CC=CC=C3N2)Br)Br

Isomeric SMILES

C1=CC=C(C=C1)[C@H]([C@](C#N)(C2=NC3=CC=CC=C3N2)Br)Br

InChI

InChI=1S/C16H11Br2N3/c17-14(11-6-2-1-3-7-11)16(18,10-19)15-20-12-8-4-5-9-13(12)21-15/h1-9,14H,(H,20,21)/t14-,16-/m1/s1