1-isothiocyanato-3-(2-methoxyphenyl)propan-1-one

Systemtic Name: 1-isothiocyanato-3-(2-methoxyphenyl)propan-1-one Openeye Name: 3-(2-methoxyphenyl)propanoyl isothiocyanate CAS Name: 1-isothiocyanato-3-(2-methoxyphenyl)-1-propanone IUPAC Name: 3-(2-methoxyphenyl)propanoyl isothiocyanate Traditional Name: 1-isothiocyanato-3-(2-methoxyphenyl)propan-1-one Formula: C11H11NO2S MolecularWeight: 221.27554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC(=O)N=C=S

Isomeric SMILES

COC1=CC=CC=C1CCC(=O)N=C=S

InChI

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