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

Systemtic Name: 4-[5-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]butylazanium Openeye Name: 4-[5-[2-(4-bromoanilino)-2-oxo-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]butylammonium CAS Name: 4-[5-[[2-(4-bromoanilino)-2-oxoethyl]thio]-1,3,4-oxadiazol-2-yl]butylammonium IUPAC Name: 4-[5-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]butylazanium Traditional Name: 4-[5-[[2-(4-bromoanilino)-2-keto-ethyl]thio]-1,3,4-oxadiazol-2-yl]butylammonium Formula: C14H18BrN4O2S+ MolecularWeight: 386.28732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN4O2S/c15-10-4-6-11(7-5-10)17-12(20)9-22-14-19-18-13(21-14)3-1-2-8-16/h4-7H,1-3,8-9,16H2,(H,17,20)/p+1