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

Systemtic Name: 5-methylsulfanyl-4-(3-phenylphenyl)sulfonyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 5-methylsulfanyl-4-(3-phenylphenyl)sulfonyl-thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid CAS Name: 5-(methylthio)-4-(3-phenylphenyl)sulfonyl-2-thiophenecarboximidamide; 2,2,2-trifluoroacetic acid IUPAC Name: 5-methylsulfanyl-4-(3-phenylphenyl)sulfonylthiophene-2-carboximidamide; 2,2,2-trifluoroacetic acid Traditional Name: 5-(methylthio)-4-(3-phenylphenyl)sulfonyl-thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid Formula: C20H17F3N2O4S3 MolecularWeight: 502.55019

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

InChI

InChI=1S/C18H16N2O2S3.C2HF3O2/c1-23-18-16(11-15(24-18)17(19)20)25(21,22)14-9-5-8-13(10-14)12-6-3-2-4-7-12;3-2(4,5)1(6)7/h2-11H,1H3,(H3,19,20);(H,6,7)