(2,5-dimethylfuran-3-yl)-isothiocyanato-methanone

Systemtic Name: (2,5-dimethylfuran-3-yl)-isothiocyanato-methanone Openeye Name: 2,5-dimethylfuran-3-carbonyl isothiocyanate CAS Name: (2,5-dimethyl-3-furanyl)-isothiocyanatomethanone IUPAC Name: 2,5-dimethylfuran-3-carbonyl isothiocyanate Traditional Name: (2,5-dimethyl-3-furyl)-isothiocyanato-methanone Formula: C8H7NO2S MolecularWeight: 181.21168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)N=C=S

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)N=C=S

InChI

InChI=1S/C8H7NO2S/c1-5-3-7(6(2)11-5)8(10)9-4-12/h3H,1-2H3