2-(1,2-benzoxazol-3-yl)-1-isothiocyanato-ethanone

Systemtic Name: 2-(1,2-benzoxazol-3-yl)-1-isothiocyanato-ethanone Openeye Name: 2-(1,2-benzoxazol-3-yl)acetyl isothiocyanate CAS Name: 2-(1,2-benzoxazol-3-yl)-1-isothiocyanatoethanone IUPAC Name: 2-(1,2-benzoxazol-3-yl)acetyl isothiocyanate Traditional Name: 2-indoxazen-3-yl-1-isothiocyanato-ethanone Formula: C10H6N2O2S MolecularWeight: 218.23184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NO2)CC(=O)N=C=S

Isomeric SMILES

C1=CC=C2C(=C1)C(=NO2)CC(=O)N=C=S

InChI

InChI=1S/C10H6N2O2S/c13-10(11-6-15)5-8-7-3-1-2-4-9(7)14-12-8/h1-4H,5H2