S-[2-azanyl-3-(2-methylphenyl)propyl] ethanethioate hydrobromide

Systemtic Name: S-[2-azanyl-3-(2-methylphenyl)propyl] ethanethioate hydrobromide Openeye Name: S-[2-amino-3-(o-tolyl)propyl] ethanethioate hydrobromide CAS Name: ethanethioic acid S-[2-amino-3-(2-methylphenyl)propyl] ester hydrobromide IUPAC Name: S-[2-amino-3-(2-methylphenyl)propyl] ethanethioate hydrobromide Traditional Name: ethanethioic acid S-[2-amino-3-(o-tolyl)propyl] ester hydrobromide Formula: C12H18BrNOS MolecularWeight: 304.24642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(CSC(=O)C)N.Br

Isomeric SMILES

CC1=CC=CC=C1CC(CSC(=O)C)N.Br

InChI

InChI=1S/C12H17NOS.BrH/c1-9-5-3-4-6-11(9)7-12(13)8-15-10(2)14;/h3-6,12H,7-8,13H2,1-2H3;1H