2,3-bis(2-cyanoethyl)-2H-1,3-benzothiazol-3-ium-3-sulfinamide

Systemtic Name: 2,3-bis(2-cyanoethyl)-2H-1,3-benzothiazol-3-ium-3-sulfinamide Openeye Name: 2,3-bis(2-cyanoethyl)-2H-1,3-benzothiazol-3-ium-3-sulfinamide CAS Name: 2,3-bis(2-cyanoethyl)-2H-1,3-benzothiazol-3-ium-3-sulfinamide IUPAC Name: 2,3-bis(2-cyanoethyl)-2H-1,3-benzothiazol-3-ium-3-sulfinamide Traditional Name: 2,3-bis(2-cyanoethyl)-2H-1,3-benzothiazol-3-ium-3-sulfinamide Formula: C13H15N4OS2+ MolecularWeight: 307.4144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+](C(S2)CCC#N)(CCC#N)S(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)[N+](C(S2)CCC#N)(CCC#N)S(=O)N

InChI

InChI=1S/C13H15N4OS2/c14-8-3-7-13-17(20(16)18,10-4-9-15)11-5-1-2-6-12(11)19-13/h1-2,5-6,13H,3-4,7,10,16H2/q+1