4-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-7-hydroxy-coumarin Formula: C24H15F2N3O3S MolecularWeight: 463.456006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(N2C3=CC=C(C=C3)F)SCC4=CC(=O)OC5=C4C=CC(=C5)O)F

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(N2C3=CC=C(C=C3)F)SCC4=CC(=O)OC5=C4C=CC(=C5)O)F

InChI

InChI=1S/C24H15F2N3O3S/c25-16-3-1-14(2-4-16)23-27-28-24(29(23)18-7-5-17(26)6-8-18)33-13-15-11-22(31)32-21-12-19(30)9-10-20(15)21/h1-12,30H,13H2