N-(1,3-benzothiazol-2-yl-methyl-oxidanylidene-$l^{6}-sulfanylidene)-4-nitro-benzenesulfonamide

Systemtic Name: N-(1,3-benzothiazol-2-yl-methyl-oxidanylidene-$l^{6}-sulfanylidene)-4-nitro-benzenesulfonamide Openeye Name: N-(1,3-benzothiazol-2-yl-methyl-oxo-$l^{6}-sulfanylidene)-4-nitro-benzenesulfonamide CAS Name: N-(1,3-benzothiazol-2-yl-methyl-oxo-$l^{6}-sulfanylidene)-4-nitrobenzenesulfonamide IUPAC Name: N-(1,3-benzothiazol-2-yl-methyl-oxo-$l^{6}-sulfanylidene)-4-nitrobenzenesulfonamide Traditional Name: N-(1,3-benzothiazol-2-yl-keto-methyl-persulfuranylidene)-4-nitro-benzenesulfonamide Formula: C14H11N3O5S3 MolecularWeight: 397.44924

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Descriptors Computed from Structure

Canonical SMILES:

CS(=NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CS(=NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H11N3O5S3/c1-24(20,14-15-12-4-2-3-5-13(12)23-14)16-25(21,22)11-8-6-10(7-9-11)17(18)19/h2-9H,1H3