4-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-methyl-3-nitro-benzenesulfonamide Formula: C14H11N3O4S3 MolecularWeight: 381.44984

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O4S3/c1-15-24(20,21)9-6-7-13(11(8-9)17(18)19)23-14-16-10-4-2-3-5-12(10)22-14/h2-8,15H,1H3