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

Systemtic Name: 5-(5-fluoranyl-3-oxidanidyl-2,3,4,5,6,7-hexahydrobenzotriazol-3-ium-1-yl)-4-propan-2-yl-3H-1,3-benzothiazol-2-one Openeye Name: 5-(5-fluoro-3-oxido-2,3,4,5,6,7-hexahydrobenzotriazol-3-ium-1-yl)-4-isopropyl-3H-1,3-benzothiazol-2-one CAS Name: 5-(5-fluoro-3-oxido-2,3,4,5,6,7-hexahydrobenzotriazol-3-ium-1-yl)-4-propan-2-yl-3H-1,3-benzothiazol-2-one IUPAC Name: 5-(5-fluoro-3-oxido-2,3,4,5,6,7-hexahydrobenzotriazol-3-ium-1-yl)-4-propan-2-yl-3H-1,3-benzothiazol-2-one Traditional Name: 5-(5-fluoro-3-oxido-2,3,4,5,6,7-hexahydrobenzotriazol-3-ium-1-yl)-4-isopropyl-3H-1,3-benzothiazol-2-one Formula: C16H19FN4O2S MolecularWeight: 350.411063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC2=C1NC(=O)S2)N3C4=C(CC(CC4)F)[NH+](N3)[O-]

Isomeric SMILES

CC(C)C1=C(C=CC2=C1NC(=O)S2)N3C4=C(CC(CC4)F)[NH+](N3)[O-]

InChI

InChI=1S/C16H19FN4O2S/c1-8(2)14-11(5-6-13-15(14)18-16(22)24-13)20-10-4-3-9(17)7-12(10)21(23)19-20/h5-6,8-9,19,21H,3-4,7H2,1-2H3,(H,18,22)