3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]-5-nitro-imidazol-4-amine

Systemtic Name: 3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]-5-nitro-imidazol-4-amine Openeye Name: 3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]-5-nitro-imidazol-4-amine CAS Name: 3-methyl-N-[1-[4-(methylthio)phenyl]ethyl]-5-nitro-4-imidazolamine IUPAC Name: 3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]-5-nitroimidazol-4-amine Traditional Name: (3-methyl-5-nitro-imidazol-4-yl)-[1-[4-(methylthio)phenyl]ethyl]amine Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)NC2=C(N=CN2C)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)SC)NC2=C(N=CN2C)[N+](=O)[O-]

InChI

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