N-(4-bromanyl-7-methyl-2,1,3-benzothiadiazol-5-yl)-4-isocyanato-benzenesulfonamide

Systemtic Name: N-(4-bromanyl-7-methyl-2,1,3-benzothiadiazol-5-yl)-4-isocyanato-benzenesulfonamide Openeye Name: N-(4-bromo-7-methyl-2,1,3-benzothiadiazol-5-yl)-4-isocyanato-benzenesulfonamide CAS Name: N-(4-bromo-7-methyl-2,1,3-benzothiadiazol-5-yl)-4-isocyanatobenzenesulfonamide IUPAC Name: N-(4-bromo-7-methyl-2,1,3-benzothiadiazol-5-yl)-4-isocyanatobenzenesulfonamide Traditional Name: N-(4-bromo-7-methyl-piazthiol-5-yl)-4-isocyanato-benzenesulfonamide Formula: C14H9BrN4O3S2 MolecularWeight: 425.28026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=NSN=C12)Br)NS(=O)(=O)C3=CC=C(C=C3)N=C=O

Isomeric SMILES

CC1=CC(=C(C2=NSN=C12)Br)NS(=O)(=O)C3=CC=C(C=C3)N=C=O

InChI

InChI=1S/C14H9BrN4O3S2/c1-8-6-11(12(15)14-13(8)17-23-18-14)19-24(21,22)10-4-2-9(3-5-10)16-7-20/h2-6,19H,1H3