(3-carbonisothiocyanatidoylphenyl)-isothiocyanato-methanone

Systemtic Name: (3-carbonisothiocyanatidoylphenyl)-isothiocyanato-methanone Openeye Name: benzene-1,3-dicarbonyl isothiocyanate CAS Name: (3-carbonisothiocyanatidoylphenyl)-isothiocyanatomethanone IUPAC Name: benzene-1,3-dicarbonyl isothiocyanate Traditional Name: (3-carbonisothiocyanatidoylphenyl)-isothiocyanato-methanone Formula: C10H4N2O2S2 MolecularWeight: 248.28096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H4N2O2S2/c13-9(11-5-15)7-2-1-3-8(4-7)10(14)12-6-16/h1-4H