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

Systemtic Name: 4-[7-bromanyl-3-[(2-fluoranyl-3-nitro-phenyl)methyl]benzimidazol-5-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboximidamide Openeye Name: 4-[7-bromo-3-[(2-fluoro-3-nitro-phenyl)methyl]benzimidazol-5-yl]sulfonyl-5-methylsulfanyl-thiophene-2-carboxamidine CAS Name: 4-[[7-bromo-3-[(2-fluoro-3-nitrophenyl)methyl]-5-benzimidazolyl]sulfonyl]-5-(methylthio)-2-thiophenecarboximidamide IUPAC Name: 4-[7-bromo-3-[(2-fluoro-3-nitrophenyl)methyl]benzimidazol-5-yl]sulfonyl-5-methylsulfanylthiophene-2-carboximidamide Traditional Name: 4-[7-bromo-3-(2-fluoro-3-nitro-benzyl)benzimidazol-5-yl]sulfonyl-5-(methylthio)thiophene-2-carboxamidine Formula: C20H15BrFN5O4S3 MolecularWeight: 584.461603

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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+](=O)[O-])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+](=O)[O-])F)Br

InChI

InChI=1S/C20H15BrFN5O4S3/c1-32-20-16(7-15(33-20)19(23)24)34(30,31)11-5-12(21)18-14(6-11)26(9-25-18)8-10-3-2-4-13(17(10)22)27(28)29/h2-7,9H,8H2,1H3,(H3,23,24)