[4-[(1-methyl-5-nitro-imidazol-2-yl)methoxy]phenyl] thiocyanate

Systemtic Name: [4-[(1-methyl-5-nitro-imidazol-2-yl)methoxy]phenyl] thiocyanate Openeye Name: [4-[(1-methyl-5-nitro-imidazol-2-yl)methoxy]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[(1-methyl-5-nitro-2-imidazolyl)methoxy]phenyl] ester IUPAC Name: [4-[(1-methyl-5-nitroimidazol-2-yl)methoxy]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(1-methyl-5-nitro-imidazol-2-yl)methoxy]phenyl] ester Formula: C12H10N4O3S MolecularWeight: 290.2978

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC2=CC=C(C=C2)SC#N)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1COC2=CC=C(C=C2)SC#N)[N+](=O)[O-]

InChI

InChI=1S/C12H10N4O3S/c1-15-11(14-6-12(15)16(17)18)7-19-9-2-4-10(5-3-9)20-8-13/h2-6H,7H2,1H3