1-iodanyl-3-isothiocyanato-5-methylsulfonyl-benzene

Systemtic Name: 1-iodanyl-3-isothiocyanato-5-methylsulfonyl-benzene Openeye Name: 1-iodo-3-isothiocyanato-5-methylsulfonyl-benzene CAS Name: 1-iodo-3-isothiocyanato-5-methylsulfonylbenzene IUPAC Name: 1-iodo-3-isothiocyanato-5-methylsulfonylbenzene Traditional Name: 1-iodo-3-isothiocyanato-5-mesyl-benzene Formula: C8H6INO2S2 MolecularWeight: 339.17321

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC(=C1)N=C=S)I

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC(=C1)N=C=S)I

InChI

InChI=1S/C8H6INO2S2/c1-14(11,12)8-3-6(9)2-7(4-8)10-5-13/h2-4H,1H3