N-(4,5-dimethyl-1,3-oxazol-2-yl)-4-isothiocyanato-benzenesulfonamide

Systemtic Name: N-(4,5-dimethyl-1,3-oxazol-2-yl)-4-isothiocyanato-benzenesulfonamide Openeye Name: N-(4,5-dimethyloxazol-2-yl)-4-isothiocyanato-benzenesulfonamide CAS Name: N-(4,5-dimethyl-2-oxazolyl)-4-isothiocyanatobenzenesulfonamide IUPAC Name: N-(4,5-dimethyl-1,3-oxazol-2-yl)-4-isothiocyanatobenzenesulfonamide Traditional Name: N-(4,5-dimethyloxazol-2-yl)-4-isothiocyanato-benzenesulfonamide Formula: C12H11N3O3S2 MolecularWeight: 309.36404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=C=S)C

Isomeric SMILES

CC1=C(OC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=C=S)C

InChI

InChI=1S/C12H11N3O3S2/c1-8-9(2)18-12(14-8)15-20(16,17)11-5-3-10(4-6-11)13-7-19/h3-6H,1-2H3,(H,14,15)