N1-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2-methylsulfanyl-5-nitro-benzene-1,4-diamine

Systemtic Name: N1-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2-methylsulfanyl-5-nitro-benzene-1,4-diamine Openeye Name: N1-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2-methylsulfanyl-5-nitro-benzene-1,4-diamine CAS Name: N1-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2-(methylthio)-5-nitrobenzene-1,4-diamine IUPAC Name: 1-N-[2-(3-methyl-2H-imidazol-1-yl)ethyl]-2-methylsulfanyl-5-nitrobenzene-1,4-diamine Traditional Name: [4-amino-2-(methylthio)-5-nitro-phenyl]-[2-(3-methyl-4-imidazolin-1-yl)ethyl]amine Formula: C13H19N5O2S MolecularWeight: 309.38726

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Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C=C1)CCNC2=CC(=C(C=C2SC)N)[N+](=O)[O-]

Isomeric SMILES

CN1CN(C=C1)CCNC2=CC(=C(C=C2SC)N)[N+](=O)[O-]

InChI

InChI=1S/C13H19N5O2S/c1-16-5-6-17(9-16)4-3-15-11-8-12(18(19)20)10(14)7-13(11)21-2/h5-8,15H,3-4,9,14H2,1-2H3