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

Systemtic Name: 2-[4-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]ethanenitrile hydrobromide Openeye Name: 2-[4-(p-tolylsulfanylmethyl)thiazol-2-yl]acetonitrile hydrobromide CAS Name: 2-[4-[[(4-methylphenyl)thio]methyl]-2-thiazolyl]acetonitrile hydrobromide IUPAC Name: 2-[4-[(4-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetonitrile hydrobromide Traditional Name: 2-[4-[(p-tolylthio)methyl]thiazol-2-yl]acetonitrile hydrobromide Formula: C13H13BrN2S2 MolecularWeight: 341.28972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CSC(=N2)CC#N.Br

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CSC(=N2)CC#N.Br

InChI

InChI=1S/C13H12N2S2.BrH/c1-10-2-4-12(5-3-10)16-8-11-9-17-13(15-11)6-7-14;/h2-5,9H,6,8H2,1H3;1H