N-butyl-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carbothioamide

Systemtic Name: N-butyl-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carbothioamide Openeye Name: N-butyl-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carbothioamide CAS Name: N-butyl-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carbothioamide IUPAC Name: N-butyl-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carbothioamide Traditional Name: N-butyl-1-oxido-benzofurazan-1-ium-5-carbothioamide Formula: C11H13N3O2S MolecularWeight: 251.30482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)C1=CC2=NO[N+](=C2C=C1)[O-]

Isomeric SMILES

CCCCNC(=S)C1=CC2=NO[N+](=C2C=C1)[O-]

InChI

InChI=1S/C11H13N3O2S/c1-2-3-6-12-11(17)8-4-5-10-9(7-8)13-16-14(10)15/h4-5,7H,2-3,6H2,1H3,(H,12,17)