isothiocyanato-(4-methylsulfonylphenyl)methanone

Systemtic Name: isothiocyanato-(4-methylsulfonylphenyl)methanone Openeye Name: 4-methylsulfonylbenzoyl isothiocyanate CAS Name: isothiocyanato-(4-methylsulfonylphenyl)methanone IUPAC Name: 4-methylsulfonylbenzoyl isothiocyanate Traditional Name: isothiocyanato-(4-mesylphenyl)methanone Formula: C9H7NO3S2 MolecularWeight: 241.28678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7NO3S2/c1-15(12,13)8-4-2-7(3-5-8)9(11)10-6-14/h2-5H,1H3