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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2OS2/c1-12(17-9-14,7-16-8-13)10-3-5-11(15-2)6-4-10/h3-6H,7H2,1-2H3