isothiocyanato(phenyl)methanone; N-(oxidanylidenemethylidene)ethenesulfonamide

Systemtic Name: isothiocyanato(phenyl)methanone; N-(oxidanylidenemethylidene)ethenesulfonamide Openeye Name: benzoyl isothiocyanate; N-(oxomethylene)ethenesulfonamide CAS Name: isothiocyanato(phenyl)methanone; N-(oxomethylidene)ethenesulfonamide IUPAC Name: benzoyl isothiocyanate; N-(oxomethylidene)ethenesulfonamide Traditional Name: isothiocyanato(phenyl)methanone; N-(ketomethylene)ethenesulfonamide Formula: C11H8N2O4S2 MolecularWeight: 296.32222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H5NOS.C3H3NO3S/c10-8(9-6-11)7-4-2-1-3-5-7;1-2-8(6,7)4-3-5/h1-5H;2H,1H2