5-bromanyl-2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]aniline

Systemtic Name: 5-bromanyl-2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]aniline Openeye Name: 5-bromo-2-[(2-methyl-3-nitro-phenyl)methylsulfanyl]aniline CAS Name: 5-bromo-2-[(2-methyl-3-nitrophenyl)methylthio]aniline IUPAC Name: 5-bromo-2-[(2-methyl-3-nitrophenyl)methylsulfanyl]aniline Traditional Name: [5-bromo-2-[(2-methyl-3-nitro-benzyl)thio]phenyl]amine Formula: C14H13BrN2O2S MolecularWeight: 353.23422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=C(C=C(C=C2)Br)N

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=C(C=C(C=C2)Br)N

InChI

InChI=1S/C14H13BrN2O2S/c1-9-10(3-2-4-13(9)17(18)19)8-20-14-6-5-11(15)7-12(14)16/h2-7H,8,16H2,1H3