1-isothiocyanato-3-(3-methylphenoxy)propan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC(=O)N=C=S

Isomeric SMILES

CC1=CC(=CC=C1)OCCC(=O)N=C=S

InChI

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