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

Systemtic Name: 3,5-dimethyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinolin-10-ium iodide Openeye Name: 3,5-dimethyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinolin-10-ium iodide CAS Name: 3,5-dimethyl-1-(methylthio)-[1,2,4]triazolo[4,3-a]quinolin-10-ium iodide IUPAC Name: 3,5-dimethyl-1-methylsulfanyl-[1,2,4]triazolo[4,3-a]quinolin-10-ium iodide Traditional Name: 3,5-dimethyl-1-(methylthio)-[1,2,4]triazolo[4,3-a]quinolin-10-ium iodide Formula: C13H14IN3S MolecularWeight: 371.23983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[N+](C3=CC=CC=C13)C(=NN2C)SC.[I-]

Isomeric SMILES

CC1=CC2=[N+](C3=CC=CC=C13)C(=NN2C)SC.[I-]

InChI

InChI=1S/C13H14N3S.HI/c1-9-8-12-15(2)14-13(17-3)16(12)11-7-5-4-6-10(9)11;/h4-8H,1-3H3;1H/q+1;/p-1