5-methylsulfanyl-4-(phenylsulfonyl)thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 5-methylsulfanyl-4-(phenylsulfonyl)thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-(benzenesulfonyl)-5-methylsulfanyl-thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid CAS Name: 4-(benzenesulfonyl)-5-(methylthio)-2-thiophenecarboximidamide; 2,2,2-trifluoroacetic acid IUPAC Name: 4-(benzenesulfonyl)-5-methylsulfanylthiophene-2-carboximidamide; 2,2,2-trifluoroacetic acid Traditional Name: 4-besyl-5-(methylthio)thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid Formula: C14H13F3N2O4S3 MolecularWeight: 426.45423

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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.C(=O)(C(F)(F)F)O

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O2S3.C2HF3O2/c1-17-12-10(7-9(18-12)11(13)14)19(15,16)8-5-3-2-4-6-8;3-2(4,5)1(6)7/h2-7H,1H3,(H3,13,14);(H,6,7)