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

Systemtic Name: 5-[5-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]pentylazanium Openeye Name: 5-[5-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]pentylammonium CAS Name: 5-[5-[[2-(4-bromoanilino)-2-oxoethyl]thio]-1,3,4-oxadiazol-2-yl]pentylammonium IUPAC Name: 5-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]pentylazanium Traditional Name: 5-[5-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-1,3,4-oxadiazol-2-yl]pentylammonium Formula: C15H20BrN4O2S+ MolecularWeight: 400.3139

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19BrN4O2S/c16-11-5-7-12(8-6-11)18-13(21)10-23-15-20-19-14(22-15)4-2-1-3-9-17/h5-8H,1-4,9-10,17H2,(H,18,21)/p+1