(3,4-diethoxyphenyl)-isothiocyanato-methanone

Systemtic Name: (3,4-diethoxyphenyl)-isothiocyanato-methanone Openeye Name: 3,4-diethoxybenzoyl isothiocyanate CAS Name: (3,4-diethoxyphenyl)-isothiocyanatomethanone IUPAC Name: 3,4-diethoxybenzoyl isothiocyanate Traditional Name: (3,4-diethoxyphenyl)-isothiocyanato-methanone Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N=C=S)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N=C=S)OCC

InChI

InChI=1S/C12H13NO3S/c1-3-15-10-6-5-9(12(14)13-8-17)7-11(10)16-4-2/h5-7H,3-4H2,1-2H3