4-(isothiocyanatomethyl)benzenesulfonamide

Systemtic Name: 4-(isothiocyanatomethyl)benzenesulfonamide Openeye Name: 4-(isothiocyanatomethyl)benzenesulfonamide CAS Name: 4-(isothiocyanatomethyl)benzenesulfonamide IUPAC Name: 4-(isothiocyanatomethyl)benzenesulfonamide Traditional Name: 4-(isothiocyanatomethyl)benzenesulfonamide Formula: C8H8N2O2S2 MolecularWeight: 228.29132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN=C=S)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CN=C=S)S(=O)(=O)N

InChI

InChI=1S/C8H8N2O2S2/c9-14(11,12)8-3-1-7(2-4-8)5-10-6-13/h1-4H,5H2,(H2,9,11,12)