3-(3,4-dimethoxyphenyl)-1-isothiocyanato-propan-1-one

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-isothiocyanato-propan-1-one Openeye Name: 3-(3,4-dimethoxyphenyl)propanoyl isothiocyanate CAS Name: 3-(3,4-dimethoxyphenyl)-1-isothiocyanato-1-propanone IUPAC Name: 3-(3,4-dimethoxyphenyl)propanoyl isothiocyanate Traditional Name: 3-(3,4-dimethoxyphenyl)-1-isothiocyanato-propan-1-one Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3S/c1-15-10-5-3-9(7-11(10)16-2)4-6-12(14)13-8-17/h3,5,7H,4,6H2,1-2H3