N-(4-isothiocyanato-2-oxidanyl-phenyl)ethanamide

Systemtic Name: N-(4-isothiocyanato-2-oxidanyl-phenyl)ethanamide Openeye Name: N-(2-hydroxy-4-isothiocyanato-phenyl)acetamide CAS Name: N-(2-hydroxy-4-isothiocyanatophenyl)acetamide IUPAC Name: N-(2-hydroxy-4-isothiocyanatophenyl)acetamide Traditional Name: N-(2-hydroxy-4-isothiocyanato-phenyl)acetamide Formula: C9H8N2O2S MolecularWeight: 208.23702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)N=C=S)O

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)N=C=S)O

InChI

InChI=1S/C9H8N2O2S/c1-6(12)11-8-3-2-7(10-5-14)4-9(8)13/h2-4,13H,1H3,(H,11,12)