2-[[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[1-(phenylmethyl)-5-(trifluoromethyl)-2-benzimidazolyl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]methyl]isoindoline-1,3-quinone Formula: C24H16F3N3O2S MolecularWeight: 467.46295

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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=C2SCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(F)(F)F)N=C2SCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C24H16F3N3O2S/c25-24(26,27)16-10-11-20-19(12-16)28-23(29(20)13-15-6-2-1-3-7-15)33-14-30-21(31)17-8-4-5-9-18(17)22(30)32/h1-12H,13-14H2