5-methylsulfanyl-4-(3-phenyl-5-prop-2-enoxy-phenyl)sulfonyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 5-methylsulfanyl-4-(3-phenyl-5-prop-2-enoxy-phenyl)sulfonyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-(3-allyloxy-5-phenyl-phenyl)sulfonyl-5-methylsulfanyl-thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid CAS Name: 5-(methylthio)-4-(3-phenyl-5-prop-2-enoxyphenyl)sulfonyl-2-thiophenecarboximidamide; 2,2,2-trifluoroacetic acid IUPAC Name: 5-methylsulfanyl-4-(3-phenyl-5-prop-2-enoxyphenyl)sulfonylthiophene-2-carboximidamide; 2,2,2-trifluoroacetic acid Traditional Name: 4-(3-allyloxy-5-phenyl-phenyl)sulfonyl-5-(methylthio)thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid Formula: C23H21F3N2O5S3 MolecularWeight: 558.61345

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC(=CC(=C2)OCC=C)C3=CC=CC=C3.C(=O)(C(F)(F)F)O

Isomeric SMILES

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC(=CC(=C2)OCC=C)C3=CC=CC=C3.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C21H20N2O3S3.C2HF3O2/c1-3-9-26-16-10-15(14-7-5-4-6-8-14)11-17(12-16)29(24,25)19-13-18(20(22)23)28-21(19)27-2;3-2(4,5)1(6)7/h3-8,10-13H,1,9H2,2H3,(H3,22,23);(H,6,7)