1-isothiocyanato-3-(4-methoxyphenyl)propan-1-one

Systemtic Name: 1-isothiocyanato-3-(4-methoxyphenyl)propan-1-one Openeye Name: 3-(4-methoxyphenyl)propanoyl isothiocyanate CAS Name: 1-isothiocyanato-3-(4-methoxyphenyl)-1-propanone IUPAC Name: 3-(4-methoxyphenyl)propanoyl isothiocyanate Traditional Name: 1-isothiocyanato-3-(4-methoxyphenyl)propan-1-one Formula: C11H11NO2S MolecularWeight: 221.27554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)N=C=S

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)N=C=S

InChI

InChI=1S/C11H11NO2S/c1-14-10-5-2-9(3-6-10)4-7-11(13)12-8-15/h2-3,5-6H,4,7H2,1H3