5-(6-fluoranyl-1-oxidanidyl-3-prop-2-ynyl-4,5,6,7-tetrahydro-1H-benzotriazol-1-ium-2-yl)-3H-1,3-benzothiazol-2-one

Systemtic Name: 5-(6-fluoranyl-1-oxidanidyl-3-prop-2-ynyl-4,5,6,7-tetrahydro-1H-benzotriazol-1-ium-2-yl)-3H-1,3-benzothiazol-2-one Openeye Name: 5-(6-fluoro-1-oxido-3-prop-2-ynyl-4,5,6,7-tetrahydro-1H-benzotriazol-1-ium-2-yl)-3H-1,3-benzothiazol-2-one CAS Name: 5-(6-fluoro-1-oxido-3-prop-2-ynyl-4,5,6,7-tetrahydro-1H-benzotriazol-1-ium-2-yl)-3H-1,3-benzothiazol-2-one IUPAC Name: 5-(6-fluoro-1-oxido-3-prop-2-ynyl-4,5,6,7-tetrahydro-1H-benzotriazol-1-ium-2-yl)-3H-1,3-benzothiazol-2-one Traditional Name: 5-(6-fluoro-1-oxido-3-propargyl-4,5,6,7-tetrahydro-1H-benzotriazol-1-ium-2-yl)-3H-1,3-benzothiazol-2-one Formula: C16H15FN4O2S MolecularWeight: 346.379303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(CC(CC2)F)[NH+](N1C3=CC4=C(C=C3)SC(=O)N4)[O-]

Isomeric SMILES

C#CCN1C2=C(CC(CC2)F)[NH+](N1C3=CC4=C(C=C3)SC(=O)N4)[O-]

InChI

InChI=1S/C16H15FN4O2S/c1-2-7-19-13-5-3-10(17)8-14(13)21(23)20(19)11-4-6-15-12(9-11)18-16(22)24-15/h1,4,6,9-10,21H,3,5,7-8H2,(H,18,22)