[(1S)-1-[5-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanyl-propyl]azanium

Systemtic Name: [(1S)-1-[5-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanyl-propyl]azanium Openeye Name: [(1S)-1-[5-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(1S)-1-[5-[[2-(4-bromoanilino)-2-oxoethyl]thio]-1,3,4-oxadiazol-2-yl]-3-(methylthio)propyl]ammonium IUPAC Name: [(1S)-1-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]-3-methylsulfanylpropyl]azanium Traditional Name: [(1S)-1-[5-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-1,3,4-oxadiazol-2-yl]-3-(methylthio)propyl]ammonium Formula: C14H18BrN4O2S2+ MolecularWeight: 418.35232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NN=C(O1)SCC(=O)NC2=CC=C(C=C2)Br)[NH3+]

Isomeric SMILES

CSCC[C@@H](C1=NN=C(O1)SCC(=O)NC2=CC=C(C=C2)Br)[NH3+]

InChI

InChI=1S/C14H17BrN4O2S2/c1-22-7-6-11(16)13-18-19-14(21-13)23-8-12(20)17-10-4-2-9(15)3-5-10/h2-5,11H,6-8,16H2,1H3,(H,17,20)/p+1/t11-/m0/s1