5-bromanyl-4-(3-chloranyl-4-methyl-phenyl)azanidylsulfonyl-thiophene-2-carboxylate

Systemtic Name: 5-bromanyl-4-(3-chloranyl-4-methyl-phenyl)azanidylsulfonyl-thiophene-2-carboxylate Openeye Name: 5-bromo-4-(3-chloro-4-methyl-phenyl)azanidylsulfonyl-thiophene-2-carboxylate CAS Name: 5-bromo-4-(3-chloro-4-methylphenyl)azanidylsulfonyl-2-thiophenecarboxylate IUPAC Name: 5-bromo-4-(3-chloro-4-methylphenyl)azanidylsulfonylthiophene-2-carboxylate Traditional Name: 5-bromo-4-(3-chloro-4-methyl-phenyl)azanidylsulfonyl-2-thenoate Formula: C12H7BrClNO4S2-2 MolecularWeight: 408.67528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N-]S(=O)(=O)C2=C(SC(=C2)C(=O)[O-])Br)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N-]S(=O)(=O)C2=C(SC(=C2)C(=O)[O-])Br)Cl

InChI

InChI=1S/C12H8BrClNO4S2/c1-6-2-3-7(4-8(6)14)15-21(18,19)10-5-9(12(16)17)20-11(10)13/h2-5H,1H3,(H,16,17)/q-1/p-1