1-oxidanidyl-N-(phenylcarbamothioyl)-2,1,3-benzoxadiazol-1-ium-5-carboxamide

Systemtic Name: 1-oxidanidyl-N-(phenylcarbamothioyl)-2,1,3-benzoxadiazol-1-ium-5-carboxamide Openeye Name: 1-oxido-N-(phenylcarbamothioyl)-2,1,3-benzoxadiazol-1-ium-5-carboxamide CAS Name: N-[anilino(sulfanylidene)methyl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide IUPAC Name: 1-oxido-N-(phenylcarbamothioyl)-2,1,3-benzoxadiazol-1-ium-5-carboxamide Traditional Name: 1-oxido-N-(phenylthiocarbamoyl)benzofurazan-1-ium-5-carboxamide Formula: C14H10N4O3S MolecularWeight: 314.3192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=NO[N+](=C3C=C2)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=NO[N+](=C3C=C2)[O-]

InChI

InChI=1S/C14H10N4O3S/c19-13(16-14(22)15-10-4-2-1-3-5-10)9-6-7-12-11(8-9)17-21-18(12)20/h1-8H,(H2,15,16,19,22)