S-[6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanylhexyl] 4-bromanylbenzenecarbothioate

Systemtic Name: S-[6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanylhexyl] 4-bromanylbenzenecarbothioate Openeye Name: S-[6-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanylhexyl] 4-bromobenzenecarbothioate CAS Name: 4-bromobenzenecarbothioic acid S-[6-[[2-(4-bromophenyl)-2-oxoethyl]thio]hexyl] ester IUPAC Name: S-[6-[2-(4-bromophenyl)-2-oxoethyl]sulfanylhexyl] 4-bromobenzenecarbothioate Traditional Name: 4-bromothiobenzoic acid S-[6-[[2-(4-bromophenyl)-2-keto-ethyl]thio]hexyl] ester Formula: C21H22Br2O2S2 MolecularWeight: 530.33618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSCCCCCCSC(=O)C2=CC=C(C=C2)Br)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)CSCCCCCCSC(=O)C2=CC=C(C=C2)Br)Br

InChI

InChI=1S/C21H22Br2O2S2/c22-18-9-5-16(6-10-18)20(24)15-26-13-3-1-2-4-14-27-21(25)17-7-11-19(23)12-8-17/h5-12H,1-4,13-15H2