2-[(4-fluorophenyl)methylsulfanyl]-1-(3-methyl-5-nitro-phenyl)sulfonyl-benzimidazole

Systemtic Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-(3-methyl-5-nitro-phenyl)sulfonyl-benzimidazole Openeye Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-(3-methyl-5-nitro-phenyl)sulfonyl-benzimidazole CAS Name: 2-[(4-fluorophenyl)methylthio]-1-(3-methyl-5-nitrophenyl)sulfonylbenzimidazole IUPAC Name: 2-[(4-fluorophenyl)methylsulfanyl]-1-(3-methyl-5-nitrophenyl)sulfonylbenzimidazole Traditional Name: 2-[(4-fluorobenzyl)thio]-1-(3-methyl-5-nitro-phenyl)sulfonyl-benzimidazole Formula: C21H16FN3O4S2 MolecularWeight: 457.497843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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