2-(4-methylsulfonyl-2,6-dinitro-phenyl)sulfanyl-1,3-benzothiazole

Systemtic Name: 2-(4-methylsulfonyl-2,6-dinitro-phenyl)sulfanyl-1,3-benzothiazole Openeye Name: 2-(4-methylsulfonyl-2,6-dinitro-phenyl)sulfanyl-1,3-benzothiazole CAS Name: 2-[(4-methylsulfonyl-2,6-dinitrophenyl)thio]-1,3-benzothiazole IUPAC Name: 2-(4-methylsulfonyl-2,6-dinitrophenyl)sulfanyl-1,3-benzothiazole Traditional Name: 2-[(4-mesyl-2,6-dinitro-phenyl)thio]-1,3-benzothiazole Formula: C14H9N3O6S3 MolecularWeight: 411.43276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9N3O6S3/c1-26(22,23)8-6-10(16(18)19)13(11(7-8)17(20)21)25-14-15-9-4-2-3-5-12(9)24-14/h2-7H,1H3