2-[(3-fluorophenyl)methylsulfanyl]-1-(3-nitrophenyl)sulfonyl-benzimidazole

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-1-(3-nitrophenyl)sulfonyl-benzimidazole Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-1-(3-nitrophenyl)sulfonyl-benzimidazole CAS Name: 2-[(3-fluorophenyl)methylthio]-1-(3-nitrophenyl)sulfonylbenzimidazole IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-1-(3-nitrophenyl)sulfonylbenzimidazole Traditional Name: 2-[(3-fluorobenzyl)thio]-1-(3-nitrophenyl)sulfonyl-benzimidazole Formula: C20H14FN3O4S2 MolecularWeight: 443.471263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])SCC4=CC(=CC=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])SCC4=CC(=CC=C4)F

InChI

InChI=1S/C20H14FN3O4S2/c21-15-6-3-5-14(11-15)13-29-20-22-18-9-1-2-10-19(18)23(20)30(27,28)17-8-4-7-16(12-17)24(25)26/h1-12H,13H2