N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-5-nitro-imidazol-4-amine

Systemtic Name: N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-5-nitro-imidazol-4-amine Openeye Name: N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-5-nitro-imidazol-4-amine CAS Name: N,3-dimethyl-N-[[4-(methylthio)phenyl]methyl]-5-nitro-4-imidazolamine IUPAC Name: N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-5-nitroimidazol-4-amine Traditional Name: methyl-(3-methyl-5-nitro-imidazol-4-yl)-[4-(methylthio)benzyl]amine Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N(C)CC2=CC=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N(C)CC2=CC=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O2S/c1-15(8-10-4-6-11(20-3)7-5-10)13-12(17(18)19)14-9-16(13)2/h4-7,9H,8H2,1-3H3