2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanylethanenitrile

Systemtic Name: 2-[2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanylethanenitrile Openeye Name: 2-(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)sulfanylacetonitrile CAS Name: 2-[[2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]thio]acetonitrile IUPAC Name: 2-(3-benzyl-2-methyl-5-nitroimidazol-4-yl)sulfanylacetonitrile Traditional Name: 2-[(3-benzyl-2-methyl-5-nitro-imidazol-4-yl)thio]acetonitrile Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1CC2=CC=CC=C2)SCC#N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(N1CC2=CC=CC=C2)SCC#N)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O2S/c1-10-15-12(17(18)19)13(20-8-7-14)16(10)9-11-5-3-2-4-6-11/h2-6H,8-9H2,1H3