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

Systemtic Name: 5-methylsulfanyl-4-(3-pyrimidin-5-ylphenyl)sulfonyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 5-methylsulfanyl-4-(3-pyrimidin-5-ylphenyl)sulfonyl-thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid CAS Name: 5-(methylthio)-4-[3-(5-pyrimidinyl)phenyl]sulfonyl-2-thiophenecarboximidamide; 2,2,2-trifluoroacetic acid IUPAC Name: 5-methylsulfanyl-4-(3-pyrimidin-5-ylphenyl)sulfonylthiophene-2-carboximidamide; 2,2,2-trifluoroacetic acid Traditional Name: 5-(methylthio)-4-[3-(5-pyrimidyl)phenyl]sulfonyl-thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid Formula: C18H15F3N4O4S3 MolecularWeight: 504.52631

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

InChI

InChI=1S/C16H14N4O2S3.C2HF3O2/c1-23-16-14(6-13(24-16)15(17)18)25(21,22)12-4-2-3-10(5-12)11-7-19-9-20-8-11;3-2(4,5)1(6)7/h2-9H,1H3,(H3,17,18);(H,6,7)