1-(5-bromanyl-2-fluoranyl-phenyl)sulfanyl-2-methyl-3,5-dinitro-benzene

Systemtic Name: 1-(5-bromanyl-2-fluoranyl-phenyl)sulfanyl-2-methyl-3,5-dinitro-benzene Openeye Name: 1-(5-bromo-2-fluoro-phenyl)sulfanyl-2-methyl-3,5-dinitro-benzene CAS Name: 1-[(5-bromo-2-fluorophenyl)thio]-2-methyl-3,5-dinitrobenzene IUPAC Name: 1-(5-bromo-2-fluorophenyl)sulfanyl-2-methyl-3,5-dinitrobenzene Traditional Name: 1-[(5-bromo-2-fluoro-phenyl)thio]-2-methyl-3,5-dinitro-benzene Formula: C13H8BrFN2O4S MolecularWeight: 387.181023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1SC2=C(C=CC(=C2)Br)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1SC2=C(C=CC(=C2)Br)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H8BrFN2O4S/c1-7-11(17(20)21)5-9(16(18)19)6-12(7)22-13-4-8(14)2-3-10(13)15/h2-6H,1H3