4-[3-[(5-azanyl-2-fluoranyl-phenyl)methyl]-7-bromanyl-benzimidazol-5-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide

Systemtic Name: 4-[3-[(5-azanyl-2-fluoranyl-phenyl)methyl]-7-bromanyl-benzimidazol-5-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide Openeye Name: 4-[3-[(5-amino-2-fluoro-phenyl)methyl]-7-bromo-benzimidazol-5-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxamidine CAS Name: 4-[[3-[(5-amino-2-fluorophenyl)methyl]-7-bromo-5-benzimidazolyl]sulfonyl]-5-(methylthio)-2-thiophenecarboximidamide IUPAC Name: 4-[3-[(5-amino-2-fluorophenyl)methyl]-7-bromobenzimidazol-5-yl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide Traditional Name: 4-[3-(5-amino-2-fluoro-benzyl)-7-bromo-benzimidazol-5-yl]sulfonyl-5-(methylthio)thiophene-2-carboxamidine Formula: C20H17BrFN5O2S3 MolecularWeight: 554.478683

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC(=C3C(=C2)N(C=N3)CC4=C(C=CC(=C4)N)F)Br

Isomeric SMILES

CSC1=C(C=C(S1)C(=N)N)S(=O)(=O)C2=CC(=C3C(=C2)N(C=N3)CC4=C(C=CC(=C4)N)F)Br

InChI

InChI=1S/C20H17BrFN5O2S3/c1-30-20-17(7-16(31-20)19(24)25)32(28,29)12-5-13(21)18-15(6-12)27(9-26-18)8-10-4-11(23)2-3-14(10)22/h2-7,9H,8,23H2,1H3,(H3,24,25)