4-[3-(5-methanoyl-2-methoxy-phenyl)phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-[3-(5-methanoyl-2-methoxy-phenyl)phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-[3-(5-formyl-2-methoxy-phenyl)phenyl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid CAS Name: 4-[3-(5-formyl-2-methoxyphenyl)phenyl]sulfonyl-5-(methylthio)-2-thiophenecarboximidamide; 2,2,2-trifluoroacetic acid IUPAC Name: 4-[3-(5-formyl-2-methoxyphenyl)phenyl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide; 2,2,2-trifluoroacetic acid Traditional Name: 4-[3-(5-formyl-2-methoxy-phenyl)phenyl]sulfonyl-5-(methylthio)thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid Formula: C22H19F3N2O6S3 MolecularWeight: 560.58627

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC.C(=O)(C(F)(F)F)O

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)C2=CC(=CC=C2)S(=O)(=O)C3=C(SC(=C3)C(=N)N)SC.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C20H18N2O4S3.C2HF3O2/c1-26-16-7-6-12(11-23)8-15(16)13-4-3-5-14(9-13)29(24,25)18-10-17(19(21)22)28-20(18)27-2;3-2(4,5)1(6)7/h3-11H,1-2H3,(H3,21,22);(H,6,7)