1-methyl-4-methylsulfanyl-quinazolin-1-ium iodide

Systemtic Name: 1-methyl-4-methylsulfanyl-quinazolin-1-ium iodide Openeye Name: 1-methyl-4-methylsulfanyl-quinazolin-1-ium iodide CAS Name: 1-methyl-4-(methylthio)quinazolin-1-ium iodide IUPAC Name: 1-methyl-4-methylsulfanylquinazolin-1-ium iodide Traditional Name: 1-methyl-4-(methylthio)quinazolin-1-ium iodide Formula: C10H11IN2S MolecularWeight: 318.17721

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN=C(C2=CC=CC=C21)SC.[I-]

Isomeric SMILES

C[N+]1=CN=C(C2=CC=CC=C21)SC.[I-]

InChI

InChI=1S/C10H11N2S.HI/c1-12-7-11-10(13-2)8-5-3-4-6-9(8)12;/h3-7H,1-2H3;1H/q+1;/p-1