[1-(4-methoxyphenyl)-3-thiocyanato-propan-2-yl] thiocyanate

Systemtic Name: [1-(4-methoxyphenyl)-3-thiocyanato-propan-2-yl] thiocyanate Openeye Name: [1-[(4-methoxyphenyl)methyl]-2-thiocyanato-ethyl] thiocyanate CAS Name: thiocyanic acid [1-(4-methoxyphenyl)-3-thiocyanatopropan-2-yl] ester IUPAC Name: [1-(4-methoxyphenyl)-3-thiocyanatopropan-2-yl] thiocyanate Traditional Name: thiocyanic acid [3-(4-methoxyphenyl)-2-thiocyanato-propyl] ester Formula: C12H12N2OS2 MolecularWeight: 264.36648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(CSC#N)SC#N

Isomeric SMILES

COC1=CC=C(C=C1)CC(CSC#N)SC#N

InChI

InChI=1S/C12H12N2OS2/c1-15-11-4-2-10(3-5-11)6-12(17-9-14)7-16-8-13/h2-5,12H,6-7H2,1H3