1,5-dimethyl-3-methylsulfanyl-4-phenyl-1,2,4-triazol-4-ium iodide

Systemtic Name: 1,5-dimethyl-3-methylsulfanyl-4-phenyl-1,2,4-triazol-4-ium iodide Openeye Name: 1,5-dimethyl-3-methylsulfanyl-4-phenyl-1,2,4-triazol-4-ium iodide CAS Name: 1,5-dimethyl-3-(methylthio)-4-phenyl-1,2,4-triazol-4-ium iodide IUPAC Name: 1,5-dimethyl-3-methylsulfanyl-4-phenyl-1,2,4-triazol-4-ium iodide Traditional Name: 1,5-dimethyl-3-(methylthio)-4-phenyl-1,2,4-triazol-4-ium iodide Formula: C11H14IN3S MolecularWeight: 347.21843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NN1C)SC)C2=CC=CC=C2.[I-]

Isomeric SMILES

CC1=[N+](C(=NN1C)SC)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C11H14N3S.HI/c1-9-13(2)12-11(15-3)14(9)10-7-5-4-6-8-10;/h4-8H,1-3H3;1H/q+1;/p-1