3-phenyl-4-prop-2-ynylsulfanyl-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 3-phenyl-4-prop-2-ynylsulfanyl-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-phenyl-4-prop-2-ynylsulfanyl-oxadiazol-3-ium-5-olate CAS Name: 3-phenyl-4-(prop-2-ynylthio)-5-oxadiazol-3-iumolate IUPAC Name: 3-phenyl-4-prop-2-ynylsulfanyloxadiazol-3-ium-5-olate Traditional Name: 3-phenyl-4-(propargylthio)oxadiazol-3-ium-5-olate Formula: C11H8N2O2S MolecularWeight: 232.25842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=C(ON=[N+]1C2=CC=CC=C2)[O-]

Isomeric SMILES

C#CCSC1=C(ON=[N+]1C2=CC=CC=C2)[O-]

InChI

InChI=1S/C11H8N2O2S/c1-2-8-16-10-11(14)15-12-13(10)9-6-4-3-5-7-9/h1,3-7H,8H2