N1-(2-bromoethyl)-2-methylsulfanyl-5-nitro-benzene-1,4-diamine

Systemtic Name: N1-(2-bromoethyl)-2-methylsulfanyl-5-nitro-benzene-1,4-diamine Openeye Name: N1-(2-bromoethyl)-2-methylsulfanyl-5-nitro-benzene-1,4-diamine CAS Name: N1-(2-bromoethyl)-2-(methylthio)-5-nitrobenzene-1,4-diamine IUPAC Name: 1-N-(2-bromoethyl)-2-methylsulfanyl-5-nitrobenzene-1,4-diamine Traditional Name: [4-amino-2-(methylthio)-5-nitro-phenyl]-(2-bromoethyl)amine Formula: C9H12BrN3O2S MolecularWeight: 306.17948

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1NCCBr)[N+](=O)[O-])N

Isomeric SMILES

CSC1=CC(=C(C=C1NCCBr)[N+](=O)[O-])N

InChI

InChI=1S/C9H12BrN3O2S/c1-16-9-4-6(11)8(13(14)15)5-7(9)12-3-2-10/h4-5,12H,2-3,11H2,1H3