[2-(4-nitrophenyl)-1-thiocyanato-propan-2-yl] thiocyanate

Systemtic Name: [2-(4-nitrophenyl)-1-thiocyanato-propan-2-yl] thiocyanate Openeye Name: [1-methyl-1-(4-nitrophenyl)-2-thiocyanato-ethyl] thiocyanate CAS Name: thiocyanic acid [2-(4-nitrophenyl)-1-thiocyanatopropan-2-yl] ester IUPAC Name: [2-(4-nitrophenyl)-1-thiocyanatopropan-2-yl] thiocyanate Traditional Name: thiocyanic acid [1-methyl-1-(4-nitrophenyl)-2-thiocyanato-ethyl] ester Formula: C11H9N3O2S2 MolecularWeight: 279.33806

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC#N)(C1=CC=C(C=C1)[N+](=O)[O-])SC#N

Isomeric SMILES

CC(CSC#N)(C1=CC=C(C=C1)[N+](=O)[O-])SC#N

InChI

InChI=1S/C11H9N3O2S2/c1-11(18-8-13,6-17-7-12)9-2-4-10(5-3-9)14(15)16/h2-5H,6H2,1H3