2-[3-bromanyl-3,4,4-tris(fluoranyl)butyl]sulfanyl-6-nitro-1,3-benzoxazole

Systemtic Name: 2-[3-bromanyl-3,4,4-tris(fluoranyl)butyl]sulfanyl-6-nitro-1,3-benzoxazole Openeye Name: 2-(3-bromo-3,4,4-trifluoro-butyl)sulfanyl-6-nitro-1,3-benzoxazole CAS Name: 2-[(3-bromo-3,4,4-trifluorobutyl)thio]-6-nitro-1,3-benzoxazole IUPAC Name: 2-(3-bromo-3,4,4-trifluorobutyl)sulfanyl-6-nitro-1,3-benzoxazole Traditional Name: 2-[(3-bromo-3,4,4-trifluoro-butyl)thio]-6-nitro-1,3-benzoxazole Formula: C11H8BrF3N2O3S MolecularWeight: 385.15703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])OC(=N2)SCCC(C(F)F)(F)Br

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])OC(=N2)SCCC(C(F)F)(F)Br

InChI

InChI=1S/C11H8BrF3N2O3S/c12-11(15,9(13)14)3-4-21-10-16-7-2-1-6(17(18)19)5-8(7)20-10/h1-2,5,9H,3-4H2