5-(2-bromanyl-4-methyl-phenyl)azanidylsulfonylthiophene-3-carboxylate

Systemtic Name: 5-(2-bromanyl-4-methyl-phenyl)azanidylsulfonylthiophene-3-carboxylate Openeye Name: 5-(2-bromo-4-methyl-phenyl)azanidylsulfonylthiophene-3-carboxylate CAS Name: 5-(2-bromo-4-methylphenyl)azanidylsulfonyl-3-thiophenecarboxylate IUPAC Name: 5-(2-bromo-4-methylphenyl)azanidylsulfonylthiophene-3-carboxylate Traditional Name: 5-(2-bromo-4-methyl-phenyl)azanidylsulfonyl-3-thenoate Formula: C12H8BrNO4S2-2 MolecularWeight: 374.23022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9BrNO4S2/c1-7-2-3-10(9(13)4-7)14-20(17,18)11-5-8(6-19-11)12(15)16/h2-6H,1H3,(H,15,16)/q-1/p-1