4-[3-methyl-7-(2-methylphenyl)benzimidazol-5-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-[3-methyl-7-(2-methylphenyl)benzimidazol-5-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-[3-methyl-7-(o-tolyl)benzimidazol-5-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid CAS Name: 4-[[3-methyl-7-(2-methylphenyl)-5-benzimidazolyl]sulfonyl]-5-(methylthio)-2-thiophenecarboximidamide; 2,2,2-trifluoroacetic acid IUPAC Name: 4-[3-methyl-7-(2-methylphenyl)benzimidazol-5-yl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide; 2,2,2-trifluoroacetic acid Traditional Name: 4-[3-methyl-7-(o-tolyl)benzimidazol-5-yl]sulfonyl-5-(methylthio)thiophene-2-carboxamidine; 2,2,2-trifluoroacetic acid Formula: C23H21F3N4O4S3 MolecularWeight: 570.62745

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=CC3=C2N=CN3C)S(=O)(=O)C4=C(SC(=C4)C(=N)N)SC.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=CC3=C2N=CN3C)S(=O)(=O)C4=C(SC(=C4)C(=N)N)SC.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C21H20N4O2S3.C2HF3O2/c1-12-6-4-5-7-14(12)15-8-13(9-16-19(15)24-11-25(16)2)30(26,27)18-10-17(20(22)23)29-21(18)28-3;3-2(4,5)1(6)7/h4-11H,1-3H3,(H3,22,23);(H,6,7)