2-[5-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethylazanium chloride

Systemtic Name: 2-[5-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethylazanium chloride Openeye Name: 2-[5-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethylammonium chloride CAS Name: 2-[5-[[2-(4-bromoanilino)-2-oxoethyl]thio]-1,3,4-oxadiazol-2-yl]ethylammonium chloride IUPAC Name: 2-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethylazanium chloride Traditional Name: 2-[5-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-1,3,4-oxadiazol-2-yl]ethylammonium chloride Formula: C12H14BrClN4O2S MolecularWeight: 393.68716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSC2=NN=C(O2)CC[NH3+])Br.[Cl-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSC2=NN=C(O2)CC[NH3+])Br.[Cl-]

InChI

InChI=1S/C12H13BrN4O2S.ClH/c13-8-1-3-9(4-2-8)15-10(18)7-20-12-17-16-11(19-12)5-6-14;/h1-4H,5-7,14H2,(H,15,18);1H