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

Systemtic Name: 7-methoxy-4-[[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 7-methoxy-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-methoxychromen-2-one Traditional Name: 4-[[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]methyl]-7-methoxy-coumarin Formula: C26H19F3N2O3S MolecularWeight: 496.50087

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)C(F)(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)C(F)(F)F

InChI

InChI=1S/C26H19F3N2O3S/c1-33-19-8-9-20-17(11-24(32)34-23(20)13-19)15-35-25-30-21-12-18(26(27,28)29)7-10-22(21)31(25)14-16-5-3-2-4-6-16/h2-13H,14-15H2,1H3