6-fluoranyl-5-(1-oxidanidyl-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)-3H-1,3-benzothiazol-2-one

Systemtic Name: 6-fluoranyl-5-(1-oxidanidyl-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)-3H-1,3-benzothiazol-2-one Openeye Name: 6-fluoro-5-(1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)-3H-1,3-benzothiazol-2-one CAS Name: 6-fluoro-5-(1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)-3H-1,3-benzothiazol-2-one IUPAC Name: 6-fluoro-5-(1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)-3H-1,3-benzothiazol-2-one Traditional Name: 6-fluoro-5-(1-oxido-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)-3H-1,3-benzothiazol-2-one Formula: C13H11FN4O2S MolecularWeight: 306.315443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=[N+](N(N=C2C1)C3=C(C=C4C(=C3)NC(=O)S4)F)[O-]

Isomeric SMILES

C1CCC2=[N+](N(N=C2C1)C3=C(C=C4C(=C3)NC(=O)S4)F)[O-]

InChI

InChI=1S/C13H11FN4O2S/c14-7-5-12-9(15-13(19)21-12)6-11(7)17-16-8-3-1-2-4-10(8)18(17)20/h5-6H,1-4H2,(H,15,19)