This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.
Formula: C14H19IN2S2
Canonical SMILES:
CC/C(=N\Nc1ccc(c(c1)I)C)/C1SCCCS1
InChI:
InChI=1S/C14H19IN2S2/c1-3-13(14-18-7-4-8-19-14)17-16-11-6-5-10(2)12(15)9-11/h5-6,9,14,16H,3-4,7-8H2,1-2H3/b17-13+
InChIKey:
DJXWTAHPCVGVSX-GHRIWEEISA-N
Exact Mass:
Crosslinks: 