4-[3-[[2,6-bis(fluoranyl)phenyl]methyl]-7-bromanyl-benzimidazol-5-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid

Systemtic Name: 4-[3-[[2,6-bis(fluoranyl)phenyl]methyl]-7-bromanyl-benzimidazol-5-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid Openeye Name: 4-[7-bromo-3-[(2,6-difluorophenyl)methyl]benzimidazol-5-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxylic acid CAS Name: 4-[[7-bromo-3-[(2,6-difluorophenyl)methyl]-5-benzimidazolyl]sulfonyl]-5-(methylthio)-2-thiophenecarboxylic acid IUPAC Name: 4-[7-bromo-3-[(2,6-difluorophenyl)methyl]benzimidazol-5-yl]sulfonyl-5-methylsulfanylthiophene-2-carboxylic acid Traditional Name: 4-[7-bromo-3-(2,6-difluorobenzyl)benzimidazol-5-yl]sulfonyl-5-(methylthio)-2-thenoic acid Formula: C20H13BrF2N2O4S3 MolecularWeight: 559.424026

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=C3C(=C2)N(C=N3)CC4=C(C=CC=C4F)F)Br

Isomeric SMILES

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC(=C3C(=C2)N(C=N3)CC4=C(C=CC=C4F)F)Br

InChI

InChI=1S/C20H13BrF2N2O4S3/c1-30-20-17(7-16(31-20)19(26)27)32(28,29)10-5-12(21)18-15(6-10)25(9-24-18)8-11-13(22)3-2-4-14(11)23/h2-7,9H,8H2,1H3,(H,26,27)