N,N-diethyl-2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanyl-ethanamine

Systemtic Name: N,N-diethyl-2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanyl-ethanamine Openeye Name: 2-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)sulfanyl-N,N-diethyl-ethanamine CAS Name: N,N-diethyl-2-[[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]thio]ethanamine IUPAC Name: 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanyl-N,N-diethylethanamine Traditional Name: 2-[(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)thio]ethyl-diethyl-amine Formula: C17H24N4O2S MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=C(N=C(N1CC2=CC=CC=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCSC1=C(N=C(N1CC2=CC=CC=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O2S/c1-4-19(5-2)11-12-24-17-16(21(22)23)18-14(3)20(17)13-15-9-7-6-8-10-15/h6-10H,4-5,11-13H2,1-3H3