5-methylsulfanyl-4-(3-quinolin-7-ylphenyl)sulfonyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 5-methylsulfanyl-4-(3-quinolin-7-ylphenyl)sulfonyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 5-methylsulfanyl-4-[3-(7-quinolyl)phenyl]sulfonyl-thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid CAS Name: 5-(methylthio)-4-[3-(7-quinolinyl)phenyl]sulfonyl-2-thiophenecarboximidamide; 2,2,2-trifluoroacetic acid IUPAC Name: 5-methylsulfanyl-4-(3-quinolin-7-ylphenyl)sulfonylthiophene-2-carboximidamide; 2,2,2-trifluoroacetic acid Traditional Name: 5-(methylthio)-4-[3-(7-quinolyl)phenyl]sulfonyl-thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid Formula: C23H18F3N3O4S3 MolecularWeight: 553.59693

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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)C3=CC4=C(C=CC=N4)C=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)C3=CC4=C(C=CC=N4)C=C3.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C21H17N3O2S3.C2HF3O2/c1-27-21-19(12-18(28-21)20(22)23)29(25,26)16-6-2-4-14(10-16)15-8-7-13-5-3-9-24-17(13)11-15;3-2(4,5)1(6)7/h2-12H,1H3,(H3,22,23);(H,6,7)