N-[3-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-4-nitro-benzamide

Systemtic Name: N-[3-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[3-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[3-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[3-[[2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl]thio]phenyl]-4-nitro-benzamide Formula: C21H15BrFN3O4S MolecularWeight: 504.328903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCC(=O)NC2=C(C=C(C=C2)Br)F)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)SCC(=O)NC2=C(C=C(C=C2)Br)F)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H15BrFN3O4S/c22-14-6-9-19(18(23)10-14)25-20(27)12-31-17-3-1-2-15(11-17)24-21(28)13-4-7-16(8-5-13)26(29)30/h1-11H,12H2,(H,24,28)(H,25,27)