2-[(3-nitrophenyl)methylsulfanyl]-1-(phenylmethyl)-5-(trifluoromethyl)benzimidazole

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-1-(phenylmethyl)-5-(trifluoromethyl)benzimidazole Openeye Name: 1-benzyl-2-[(3-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)benzimidazole CAS Name: 2-[(3-nitrophenyl)methylthio]-1-(phenylmethyl)-5-(trifluoromethyl)benzimidazole IUPAC Name: 1-benzyl-2-[(3-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)benzimidazole Traditional Name: 1-benzyl-2-[(3-nitrobenzyl)thio]-5-(trifluoromethyl)benzimidazole Formula: C22H16F3N3O2S MolecularWeight: 443.44155

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(F)(F)F)N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(F)(F)F)N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16F3N3O2S/c23-22(24,25)17-9-10-20-19(12-17)26-21(27(20)13-15-5-2-1-3-6-15)31-14-16-7-4-8-18(11-16)28(29)30/h1-12H,13-14H2