3-(phenylmethyl)-1,3,4-thiadiazol-3-ium iodide

Systemtic Name: 3-(phenylmethyl)-1,3,4-thiadiazol-3-ium iodide Openeye Name: 3-benzyl-1,3,4-thiadiazol-3-ium iodide CAS Name: 3-(phenylmethyl)-1,3,4-thiadiazol-3-ium iodide IUPAC Name: 3-benzyl-1,3,4-thiadiazol-3-ium iodide Traditional Name: 3-benzyl-1,3,4-thiadiazol-3-ium iodide Formula: C9H9IN2S MolecularWeight: 304.15063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CSC=N2.[I-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CSC=N2.[I-]

InChI

InChI=1S/C9H9N2S.HI/c1-2-4-9(5-3-1)6-11-8-12-7-10-11;/h1-5,7-8H,6H2;1H/q+1;/p-1