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

Systemtic Name: [2-methyl-5-nitro-3-(phenylmethyl)imidazol-4-yl] thiocyanate Openeye Name: (3-benzyl-2-methyl-5-nitro-imidazol-4-yl) thiocyanate CAS Name: thiocyanic acid [2-methyl-5-nitro-3-(phenylmethyl)-4-imidazolyl] ester IUPAC Name: (3-benzyl-2-methyl-5-nitroimidazol-4-yl) thiocyanate Traditional Name: thiocyanic acid (3-benzyl-2-methyl-5-nitro-imidazol-4-yl) ester Formula: C12H10N4O2S MolecularWeight: 274.2984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N4O2S/c1-9-14-11(16(17)18)12(19-8-13)15(9)7-10-5-3-2-4-6-10/h2-6H,7H2,1H3