7,8-dimethyl-4-[[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-7,8-dimethyl-chromen-2-one CAS Name: 7,8-dimethyl-4-[[[1-(phenylmethyl)-5-(trifluoromethyl)-2-benzimidazolyl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 4-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]methyl]-7,8-dimethyl-coumarin Formula: C27H21F3N2O2S MolecularWeight: 494.52805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)C(F)(F)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)C(F)(F)F)C

InChI

InChI=1S/C27H21F3N2O2S/c1-16-8-10-21-19(12-24(33)34-25(21)17(16)2)15-35-26-31-22-13-20(27(28,29)30)9-11-23(22)32(26)14-18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3