2-[(3-fluorophenyl)methylsulfanyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-benzimidazole

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-benzimidazole Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-1-(2-methyl-5-nitro-phenyl)sulfonyl-benzimidazole CAS Name: 2-[(3-fluorophenyl)methylthio]-1-(2-methyl-5-nitrophenyl)sulfonylbenzimidazole IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-1-(2-methyl-5-nitrophenyl)sulfonylbenzimidazole Traditional Name: 2-[(3-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=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)F

InChI

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