4-isothiocyanato-N-(3-nitrophenyl)benzenesulfonamide

Systemtic Name: 4-isothiocyanato-N-(3-nitrophenyl)benzenesulfonamide Openeye Name: 4-isothiocyanato-N-(3-nitrophenyl)benzenesulfonamide CAS Name: 4-isothiocyanato-N-(3-nitrophenyl)benzenesulfonamide IUPAC Name: 4-isothiocyanato-N-(3-nitrophenyl)benzenesulfonamide Traditional Name: 4-isothiocyanato-N-(3-nitrophenyl)benzenesulfonamide Formula: C13H9N3O4S2 MolecularWeight: 335.35826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)N=C=S

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)N=C=S

InChI

InChI=1S/C13H9N3O4S2/c17-16(18)12-3-1-2-11(8-12)15-22(19,20)13-6-4-10(5-7-13)14-9-21/h1-8,15H