4-bromanyl-5-methylsulfanyl-3-phenyl-1,2,3-thiadiazol-3-ium

Systemtic Name: 4-bromanyl-5-methylsulfanyl-3-phenyl-1,2,3-thiadiazol-3-ium Openeye Name: 4-bromo-5-methylsulfanyl-3-phenyl-thiadiazol-3-ium CAS Name: 4-bromo-5-(methylthio)-3-phenylthiadiazol-3-ium IUPAC Name: 4-bromo-5-methylsulfanyl-3-phenylthiadiazol-3-ium Traditional Name: 4-bromo-5-(methylthio)-3-phenyl-thiadiazol-3-ium Formula: C9H8BrN2S2+ MolecularWeight: 288.20722

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C([N+](=NS1)C2=CC=CC=C2)Br

Isomeric SMILES

CSC1=C([N+](=NS1)C2=CC=CC=C2)Br

InChI

InChI=1S/C9H8BrN2S2/c1-13-9-8(10)12(11-14-9)7-5-3-2-4-6-7/h2-6H,1H3/q+1