4-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]butylazanium

Systemtic Name: 4-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]butylazanium Openeye Name: 4-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]butylammonium CAS Name: 4-[5-[(4-chlorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]butylammonium IUPAC Name: 4-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]butylazanium Traditional Name: 4-[5-[(4-chlorobenzyl)thio]-1,3,4-oxadiazol-2-yl]butylammonium Formula: C13H17ClN3OS+ MolecularWeight: 298.81158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=C(O2)CCCC[NH3+])Cl

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=C(O2)CCCC[NH3+])Cl

InChI

InChI=1S/C13H16ClN3OS/c14-11-6-4-10(5-7-11)9-19-13-17-16-12(18-13)3-1-2-8-15/h4-7H,1-3,8-9,15H2/p+1