5-[5-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentylazanium

Systemtic Name: 5-[5-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentylazanium Openeye Name: 5-[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentylammonium CAS Name: 5-[5-[(2,6-dichlorophenyl)methylthio]-1,3,4-oxadiazol-2-yl]pentylammonium IUPAC Name: 5-[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]pentylazanium Traditional Name: 5-[5-[(2,6-dichlorobenzyl)thio]-1,3,4-oxadiazol-2-yl]pentylammonium Formula: C14H18Cl2N3OS+ MolecularWeight: 347.28322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17Cl2N3OS/c15-11-5-4-6-12(16)10(11)9-21-14-19-18-13(20-14)7-2-1-3-8-17/h4-6H,1-3,7-9,17H2/p+1