4-hexylsulfanyl-2-oxidanidyl-3-phenyl-1,2,5-oxadiazol-2-ium

Systemtic Name: 4-hexylsulfanyl-2-oxidanidyl-3-phenyl-1,2,5-oxadiazol-2-ium Openeye Name: 4-hexylsulfanyl-2-oxido-3-phenyl-1,2,5-oxadiazol-2-ium CAS Name: 4-(hexylthio)-2-oxido-3-phenyl-1,2,5-oxadiazol-2-ium IUPAC Name: 4-hexylsulfanyl-2-oxido-3-phenyl-1,2,5-oxadiazol-2-ium Traditional Name: 4-(hexylthio)-2-oxido-3-phenyl-furazan-2-ium Formula: C14H18N2O2S MolecularWeight: 278.36992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NO[N+](=C1C2=CC=CC=C2)[O-]

Isomeric SMILES

CCCCCCSC1=NO[N+](=C1C2=CC=CC=C2)[O-]

InChI

InChI=1S/C14H18N2O2S/c1-2-3-4-8-11-19-14-13(16(17)18-15-14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3