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

Systemtic Name: 6-fluoranyl-5-(1-oxidanidyl-4-prop-2-ynyl-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)-3H-1,3-benzothiazol-2-one Openeye Name: 6-fluoro-5-(1-oxido-4-prop-2-ynyl-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)-3H-1,3-benzothiazol-2-one CAS Name: 6-fluoro-5-(1-oxido-4-prop-2-ynyl-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)-3H-1,3-benzothiazol-2-one IUPAC Name: 6-fluoro-5-(1-oxido-4-prop-2-ynyl-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)-3H-1,3-benzothiazol-2-one Traditional Name: 6-fluoro-5-(1-oxido-4-propargyl-4,5,6,7-tetrahydrobenzotriazol-1-ium-2-yl)-3H-1,3-benzothiazol-2-one Formula: C16H13FN4O2S MolecularWeight: 344.363423

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC1CCCC2=[N+](N(N=C12)C3=C(C=C4C(=C3)NC(=O)S4)F)[O-]

Isomeric SMILES

C#CCC1CCCC2=[N+](N(N=C12)C3=C(C=C4C(=C3)NC(=O)S4)F)[O-]

InChI

InChI=1S/C16H13FN4O2S/c1-2-4-9-5-3-6-12-15(9)19-20(21(12)23)13-8-11-14(7-10(13)17)24-16(22)18-11/h1,7-9H,3-6H2,(H,18,22)