N-(4,6-dimethylpyrimidin-2-yl)-4-isothiocyanato-benzenesulfonamide

Systemtic Name: N-(4,6-dimethylpyrimidin-2-yl)-4-isothiocyanato-benzenesulfonamide Openeye Name: N-(4,6-dimethylpyrimidin-2-yl)-4-isothiocyanato-benzenesulfonamide CAS Name: N-(4,6-dimethyl-2-pyrimidinyl)-4-isothiocyanatobenzenesulfonamide IUPAC Name: N-(4,6-dimethylpyrimidin-2-yl)-4-isothiocyanatobenzenesulfonamide Traditional Name: N-(4,6-dimethylpyrimidin-2-yl)-4-isothiocyanato-benzenesulfonamide Formula: C13H12N4O2S2 MolecularWeight: 320.38998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O2S2/c1-9-7-10(2)16-13(15-9)17-21(18,19)12-5-3-11(4-6-12)14-8-20/h3-7H,1-2H3,(H,15,16,17)