N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-acetamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide Formula: C17H12BrF3N2O5S MolecularWeight: 493.25179

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H12BrF3N2O5S/c18-10-6-13-14(28-4-3-27-13)7-11(10)22-16(24)8-29-15-2-1-9(17(19,20)21)5-12(15)23(25)26/h1-2,5-7H,3-4,8H2,(H,22,24)