2-[(2-fluorophenyl)methylsulfanyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-benzimidazole

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-benzimidazole Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-benzimidazole CAS Name: 2-[(2-fluorophenyl)methylthio]-1-(2-methyl-5-nitrophenyl)sulfonylbenzimidazole IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-1-(2-methyl-5-nitrophenyl)sulfonylbenzimidazole Traditional Name: 2-[(2-fluorobenzyl)thio]-1-(2-methyl-5-nitro-phenyl)sulfonyl-benzimidazole Formula: C21H16FN3O4S2 MolecularWeight: 457.497843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2C3=CC=CC=C3N=C2SCC4=CC=CC=C4F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2C3=CC=CC=C3N=C2SCC4=CC=CC=C4F

InChI

InChI=1S/C21H16FN3O4S2/c1-14-10-11-16(25(26)27)12-20(14)31(28,29)24-19-9-5-4-8-18(19)23-21(24)30-13-15-6-2-3-7-17(15)22/h2-12H,13H2,1H3