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

Systemtic Name: 5-methylsulfanyl-4-naphthalen-2-ylsulfonyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 5-methylsulfanyl-4-(2-naphthylsulfonyl)thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid CAS Name: 5-(methylthio)-4-(2-naphthalenylsulfonyl)-2-thiophenecarboximidamide; 2,2,2-trifluoroacetic acid IUPAC Name: 5-methylsulfanyl-4-naphthalen-2-ylsulfonylthiophene-2-carboximidamide; 2,2,2-trifluoroacetic acid Traditional Name: 5-(methylthio)-4-(2-naphthylsulfonyl)thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid Formula: C18H15F3N2O4S3 MolecularWeight: 476.51291

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC3=CC=CC=C3C=C2.C(=O)(C(F)(F)F)O

Isomeric SMILES

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC3=CC=CC=C3C=C2.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C16H14N2O2S3.C2HF3O2/c1-21-16-14(9-13(22-16)15(17)18)23(19,20)12-7-6-10-4-2-3-5-11(10)8-12;3-2(4,5)1(6)7/h2-9H,1H3,(H3,17,18);(H,6,7)