1-(4-methylphenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-benzimidazole

Systemtic Name: 1-(4-methylphenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-benzimidazole Openeye Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1-(p-tolyl)benzimidazole CAS Name: 1-(4-methylphenyl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]benzimidazole IUPAC Name: 1-(4-methylphenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzimidazole Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1-(p-tolyl)benzimidazole Formula: C21H14F3N3O2S MolecularWeight: 429.41497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H14F3N3O2S/c1-13-6-9-15(10-7-13)26-17-5-3-2-4-16(17)25-20(26)30-19-11-8-14(21(22,23)24)12-18(19)27(28)29/h2-12H,1H3