2-[5-(4-bromophenyl)-1-ethyl-imidazol-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[5-(4-bromophenyl)-1-ethyl-imidazol-2-yl]sulfanylethanenitrile Openeye Name: 2-[5-(4-bromophenyl)-1-ethyl-imidazol-2-yl]sulfanylacetonitrile CAS Name: 2-[[5-(4-bromophenyl)-1-ethyl-2-imidazolyl]thio]acetonitrile IUPAC Name: 2-[5-(4-bromophenyl)-1-ethylimidazol-2-yl]sulfanylacetonitrile Traditional Name: 2-[[5-(4-bromophenyl)-1-ethyl-imidazol-2-yl]thio]acetonitrile Formula: C13H12BrN3S MolecularWeight: 322.22348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrN3S/c1-2-17-12(9-16-13(17)18-8-7-15)10-3-5-11(14)6-4-10/h3-6,9H,2,8H2,1H3