3,5-dimethyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-10-ium iodide

Systemtic Name: 3,5-dimethyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-10-ium iodide Openeye Name: 3,5-dimethyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-10-ium iodide CAS Name: 3,5-dimethyl-1-(methylthio)-[1,2,4]triazolo[4,3-a]quinazolin-10-ium iodide IUPAC Name: 3,5-dimethyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-10-ium iodide Traditional Name: 3,5-dimethyl-1-(methylthio)-[1,2,4]triazolo[4,3-a]quinazolin-10-ium iodide Formula: C12H13IN4S MolecularWeight: 372.22789

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=[N+](C3=CC=CC=C13)C(=NN2C)SC.[I-]

Isomeric SMILES

CC1=NC2=[N+](C3=CC=CC=C13)C(=NN2C)SC.[I-]

InChI

InChI=1S/C12H13N4S.HI/c1-8-9-6-4-5-7-10(9)16-11(13-8)15(2)14-12(16)17-3;/h4-7H,1-3H3;1H/q+1;/p-1