2-[(4-nitrophenyl)methylsulfanyl]-1-(phenylmethyl)-5-(trifluoromethyl)benzimidazole

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-1-(phenylmethyl)-5-(trifluoromethyl)benzimidazole Openeye Name: 1-benzyl-2-[(4-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)benzimidazole CAS Name: 2-[(4-nitrophenyl)methylthio]-1-(phenylmethyl)-5-(trifluoromethyl)benzimidazole IUPAC Name: 1-benzyl-2-[(4-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)benzimidazole Traditional Name: 1-benzyl-2-[(4-nitrobenzyl)thio]-5-(trifluoromethyl)benzimidazole Formula: C22H16F3N3O2S MolecularWeight: 443.44155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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