5-(3-fluoranyl-4-methyl-phenyl)azanidylsulfonylthiophene-3-carboxylate

Systemtic Name: 5-(3-fluoranyl-4-methyl-phenyl)azanidylsulfonylthiophene-3-carboxylate Openeye Name: 5-(3-fluoro-4-methyl-phenyl)azanidylsulfonylthiophene-3-carboxylate CAS Name: 5-(3-fluoro-4-methylphenyl)azanidylsulfonyl-3-thiophenecarboxylate IUPAC Name: 5-(3-fluoro-4-methylphenyl)azanidylsulfonylthiophene-3-carboxylate Traditional Name: 5-(3-fluoro-4-methyl-phenyl)azanidylsulfonyl-3-thenoate Formula: C12H8FNO4S2-2 MolecularWeight: 313.324623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N-]S(=O)(=O)C2=CC(=CS2)C(=O)[O-])F

Isomeric SMILES

CC1=C(C=C(C=C1)[N-]S(=O)(=O)C2=CC(=CS2)C(=O)[O-])F

InChI

InChI=1S/C12H9FNO4S2/c1-7-2-3-9(5-10(7)13)14-20(17,18)11-4-8(6-19-11)12(15)16/h2-6H,1H3,(H,15,16)/q-1/p-1