1-(4-bromophenyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one

Systemtic Name: 1-(4-bromophenyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one Openeye Name: 1-(4-bromophenyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one CAS Name: 1-(4-bromophenyl)-2-[[5-[(methylthio)methyl]-1,3,4-oxadiazol-2-yl]thio]-1-propanone IUPAC Name: 1-(4-bromophenyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one Traditional Name: 1-(4-bromophenyl)-2-[[5-[(methylthio)methyl]-1,3,4-oxadiazol-2-yl]thio]propan-1-one Formula: C13H13BrN2O2S2 MolecularWeight: 373.28852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NN=C(O2)CSC

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NN=C(O2)CSC

InChI

InChI=1S/C13H13BrN2O2S2/c1-8(12(17)9-3-5-10(14)6-4-9)20-13-16-15-11(18-13)7-19-2/h3-6,8H,7H2,1-2H3