4-[3-[5-(4-bromophenyl)-1-ethyl-imidazol-2-yl]sulfanyl-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[5-(4-bromophenyl)-1-ethyl-imidazol-2-yl]sulfanyl-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[5-(4-bromophenyl)-1-ethyl-imidazol-2-yl]sulfanyl-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[[5-(4-bromophenyl)-1-ethyl-2-imidazolyl]thio]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-[5-(4-bromophenyl)-1-ethylimidazol-2-yl]sulfanyl-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-[[5-(4-bromophenyl)-1-ethyl-imidazol-2-yl]thio]-2-hydroxy-propoxy]benzonitrile Formula: C21H20BrN3O2S MolecularWeight: 458.3714

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC(COC2=CC=C(C=C2)C#N)O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCN1C(=CN=C1SCC(COC2=CC=C(C=C2)C#N)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrN3O2S/c1-2-25-20(16-5-7-17(22)8-6-16)12-24-21(25)28-14-18(26)13-27-19-9-3-15(11-23)4-10-19/h3-10,12,18,26H,2,13-14H2,1H3