3-methyl-5-nitro-N-(2-phenylsulfanylethyl)imidazol-4-amine

Systemtic Name: 3-methyl-5-nitro-N-(2-phenylsulfanylethyl)imidazol-4-amine Openeye Name: 3-methyl-5-nitro-N-(2-phenylsulfanylethyl)imidazol-4-amine CAS Name: 3-methyl-5-nitro-N-[2-(phenylthio)ethyl]-4-imidazolamine IUPAC Name: 3-methyl-5-nitro-N-(2-phenylsulfanylethyl)imidazol-4-amine Traditional Name: (3-methyl-5-nitro-imidazol-4-yl)-[2-(phenylthio)ethyl]amine Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1NCCSC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1NCCSC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O2S/c1-15-9-14-12(16(17)18)11(15)13-7-8-19-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3