4-iodanyl-1-isothiocyanato-2-methylsulfonyl-benzene

Systemtic Name: 4-iodanyl-1-isothiocyanato-2-methylsulfonyl-benzene Openeye Name: 4-iodo-1-isothiocyanato-2-methylsulfonyl-benzene CAS Name: 4-iodo-1-isothiocyanato-2-methylsulfonylbenzene IUPAC Name: 4-iodo-1-isothiocyanato-2-methylsulfonylbenzene Traditional Name: 4-iodo-1-isothiocyanato-2-mesyl-benzene Formula: C8H6INO2S2 MolecularWeight: 339.17321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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