2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3-benzoxazole

Systemtic Name: 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3-benzoxazole Openeye Name: 2-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3-benzoxazole CAS Name: 2-[(4-methylsulfonyl-2-nitrophenyl)thio]-1,3-benzoxazole IUPAC Name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1,3-benzoxazole Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]-1,3-benzoxazole Formula: C14H10N2O5S2 MolecularWeight: 350.3696

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SC2=NC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O5S2/c1-23(19,20)9-6-7-13(11(8-9)16(17)18)22-14-15-10-4-2-3-5-12(10)21-14/h2-8H,1H3