6-nitro-2-(phenylsulfonylsulfanyl)-1,3-benzothiazole

Systemtic Name: 6-nitro-2-(phenylsulfonylsulfanyl)-1,3-benzothiazole Openeye Name: 2-(benzenesulfonylsulfanyl)-6-nitro-1,3-benzothiazole CAS Name: 2-(benzenesulfonylthio)-6-nitro-1,3-benzothiazole IUPAC Name: 2-(benzenesulfonylsulfanyl)-6-nitro-1,3-benzothiazole Traditional Name: 2-(besylthio)-6-nitro-1,3-benzothiazole Formula: C13H8N2O4S3 MolecularWeight: 352.40862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H8N2O4S3/c16-15(17)9-6-7-11-12(8-9)20-13(14-11)21-22(18,19)10-4-2-1-3-5-10/h1-8H