2-(4-nitrophenyl)sulfonylsulfanyl-1,3-benzothiazole

Systemtic Name: 2-(4-nitrophenyl)sulfonylsulfanyl-1,3-benzothiazole Openeye Name: 2-(4-nitrophenyl)sulfonylsulfanyl-1,3-benzothiazole CAS Name: 2-[(4-nitrophenyl)sulfonylthio]-1,3-benzothiazole IUPAC Name: 2-(4-nitrophenyl)sulfonylsulfanyl-1,3-benzothiazole Traditional Name: 2-(nosylthio)-1,3-benzothiazole Formula: C13H8N2O4S3 MolecularWeight: 352.40862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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