2-(2-methyl-5-nitro-imidazol-1-yl)ethyl thiocyanate

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl thiocyanate Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl thiocyanate CAS Name: thiocyanic acid 2-(2-methyl-5-nitro-1-imidazolyl)ethyl ester IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl thiocyanate Traditional Name: thiocyanic acid 2-(2-methyl-5-nitro-imidazol-1-yl)ethyl ester Formula: C7H8N4O2S MolecularWeight: 212.22902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCSC#N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCSC#N)[N+](=O)[O-]

InChI

InChI=1S/C7H8N4O2S/c1-6-9-4-7(11(12)13)10(6)2-3-14-5-8/h4H,2-3H2,1H3