2-[4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]ethanenitrile hydrobromide

Systemtic Name: 2-[4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]ethanenitrile hydrobromide Openeye Name: 2-[4-[(4-chlorophenyl)sulfanylmethyl]thiazol-2-yl]acetonitrile hydrobromide CAS Name: 2-[4-[[(4-chlorophenyl)thio]methyl]-2-thiazolyl]acetonitrile hydrobromide IUPAC Name: 2-[4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetonitrile hydrobromide Traditional Name: 2-[4-[[(4-chlorophenyl)thio]methyl]thiazol-2-yl]acetonitrile hydrobromide Formula: C12H10BrClN2S2 MolecularWeight: 361.7082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCC2=CSC(=N2)CC#N)Cl.Br

Isomeric SMILES

C1=CC(=CC=C1SCC2=CSC(=N2)CC#N)Cl.Br

InChI

InChI=1S/C12H9ClN2S2.BrH/c13-9-1-3-11(4-2-9)16-7-10-8-17-12(15-10)5-6-14;/h1-4,8H,5,7H2;1H