S-[4-[bis(2-bromoethyl)amino]phenyl] ethanethioate

Systemtic Name: S-[4-[bis(2-bromoethyl)amino]phenyl] ethanethioate Openeye Name: S-[4-[bis(2-bromoethyl)amino]phenyl] ethanethioate CAS Name: ethanethioic acid S-[4-[bis(2-bromoethyl)amino]phenyl] ester IUPAC Name: S-[4-[bis(2-bromoethyl)amino]phenyl] ethanethioate Traditional Name: ethanethioic acid S-[4-[bis(2-bromoethyl)amino]phenyl] ester Formula: C12H15Br2NOS MolecularWeight: 381.1266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=CC=C(C=C1)N(CCBr)CCBr

Isomeric SMILES

CC(=O)SC1=CC=C(C=C1)N(CCBr)CCBr

InChI

InChI=1S/C12H15Br2NOS/c1-10(16)17-12-4-2-11(3-5-12)15(8-6-13)9-7-14/h2-5H,6-9H2,1H3