4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]-2-nitro-phenolate

Systemtic Name: 4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]-2-nitro-phenolate Openeye Name: 4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]-2-nitro-phenolate CAS Name: 4-[[2-(methylthio)-1,3-benzothiazol-6-yl]sulfamoyl]-2-nitrophenolate IUPAC Name: 4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfamoyl]-2-nitrophenolate Traditional Name: 4-[[2-(methylthio)-1,3-benzothiazol-6-yl]sulfamoyl]-2-nitro-phenolate Formula: C14H10N3O5S3- MolecularWeight: 396.4413

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)[O-])[N+](=O)[O-]

InChI

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