3-bromanyl-N-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]propanamide

Systemtic Name: 3-bromanyl-N-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]propanamide Openeye Name: 3-bromo-N-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]propanamide CAS Name: 3-bromo-N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]phenyl]propanamide IUPAC Name: 3-bromo-N-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]propanamide Traditional Name: 3-bromo-N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]phenyl]propionamide Formula: C16H12BrF3N2O3S MolecularWeight: 449.24229

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCBr)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCBr)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H12BrF3N2O3S/c17-8-7-15(23)21-11-3-1-2-4-13(11)26-14-6-5-10(16(18,19)20)9-12(14)22(24)25/h1-6,9H,7-8H2,(H,21,23)