sodium 1,3-benzothiazol-2-yl (1E)-1-cyano-N-oxidanidyl-methanimidothioate

Systemtic Name: sodium 1,3-benzothiazol-2-yl (1E)-1-cyano-N-oxidanidyl-methanimidothioate Openeye Name: sodium 1,3-benzothiazol-2-yl (1E)-1-cyano-N-oxido-methanimidothioate CAS Name: sodium (1E)-1-cyano-N-oxidomethanimidothioic acid 1,3-benzothiazol-2-yl ester IUPAC Name: sodium 1,3-benzothiazol-2-yl (1E)-1-cyano-N-oxidomethanimidothioate Traditional Name: sodium (1E)-1-cyano-N-oxido-thioformimidic acid 1,3-benzothiazol-2-yl ester Formula: C9H4N3NaOS2 MolecularWeight: 257.26733

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(=N[O-])C#N.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)S/C(=N/[O-])/C#N.[Na+]

InChI

InChI=1S/C9H5N3OS2.Na/c10-5-8(12-13)15-9-11-6-3-1-2-4-7(6)14-9;/h1-4,13H;/q;+1/p-1/b12-8+;