(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C17H14FN3O3S MolecularWeight: 359.374763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C17H14FN3O3S/c18-12-5-7-13(8-6-12)25-10-9-16(22)24-11-21-17(23)14-3-1-2-4-15(14)19-20-21/h1-8H,9-11H2