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

Systemtic Name: 3-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]propylazanium Openeye Name: 3-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]propylammonium CAS Name: 3-[5-[(2-chlorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]propylammonium IUPAC Name: 3-[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]propylazanium Traditional Name: 3-[5-[(2-chlorobenzyl)thio]-1,3,4-oxadiazol-2-yl]propylammonium Formula: C12H15ClN3OS+ MolecularWeight: 284.785

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NN=C(O2)CCC[NH3+])Cl

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NN=C(O2)CCC[NH3+])Cl

InChI

InChI=1S/C12H14ClN3OS/c13-10-5-2-1-4-9(10)8-18-12-16-15-11(17-12)6-3-7-14/h1-2,4-5H,3,6-8,14H2/p+1