[4-[2-(4-bromanylphenoxy)ethylsulfanyl]-3-nitro-phenyl]-phenyl-methanone

Systemtic Name: [4-[2-(4-bromanylphenoxy)ethylsulfanyl]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[2-(4-bromophenoxy)ethylsulfanyl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[2-(4-bromophenoxy)ethylthio]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[2-(4-bromophenoxy)ethylsulfanyl]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[2-(4-bromophenoxy)ethylthio]-3-nitro-phenyl]-phenyl-methanone Formula: C21H16BrNO4S MolecularWeight: 458.32504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)SCCOC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)SCCOC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H16BrNO4S/c22-17-7-9-18(10-8-17)27-12-13-28-20-11-6-16(14-19(20)23(25)26)21(24)15-4-2-1-3-5-15/h1-11,14H,12-13H2