2-[(E)-2,1-benzothiazol-3-yldiazenyl]-2-isocyano-N-methyl-ethanamide

Systemtic Name: 2-[(E)-2,1-benzothiazol-3-yldiazenyl]-2-isocyano-N-methyl-ethanamide Openeye Name: 2-[(E)-2,1-benzothiazol-3-ylazo]-2-isocyano-N-methyl-acetamide CAS Name: 2-[(E)-2,1-benzothiazol-3-ylazo]-2-isocyano-N-methylacetamide IUPAC Name: 2-[(E)-2,1-benzothiazol-3-yldiazenyl]-2-isocyano-N-methylacetamide Traditional Name: 2-[(E)-2,1-benzothiazol-3-ylazo]-2-isocyano-N-methyl-acetamide Formula: C11H9N5OS MolecularWeight: 259.28706

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(N=NC1=C2C=CC=CC2=NS1)[N+]#[C-]

Isomeric SMILES

CNC(=O)C(/N=N/C1=C2C=CC=CC2=NS1)[N+]#[C-]

InChI

InChI=1S/C11H9N5OS/c1-12-9(10(17)13-2)14-15-11-7-5-3-4-6-8(7)16-18-11/h3-6,9H,2H3,(H,13,17)/b15-14+