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

Systemtic Name: [2-(4-bromophenyl)-1-thiocyanato-propan-2-yl] thiocyanate Openeye Name: [1-(4-bromophenyl)-1-methyl-2-thiocyanato-ethyl] thiocyanate CAS Name: thiocyanic acid [2-(4-bromophenyl)-1-thiocyanatopropan-2-yl] ester IUPAC Name: [2-(4-bromophenyl)-1-thiocyanatopropan-2-yl] thiocyanate Traditional Name: thiocyanic acid [1-(4-bromophenyl)-1-methyl-2-thiocyanato-ethyl] ester Formula: C11H9BrN2S2 MolecularWeight: 313.23656

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC#N)(C1=CC=C(C=C1)Br)SC#N

Isomeric SMILES

CC(CSC#N)(C1=CC=C(C=C1)Br)SC#N

InChI

InChI=1S/C11H9BrN2S2/c1-11(16-8-14,6-15-7-13)9-2-4-10(12)5-3-9/h2-5H,6H2,1H3