6-chloranyl-4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-7-hydroxy-4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-hydroxy-4-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-hydroxy-4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-hydroxy-4-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C14H9ClF3N3O3S MolecularWeight: 391.75277

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)Cl)O)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=O)OC3=CC(=C(C=C23)Cl)O)C(F)(F)F

InChI

InChI=1S/C14H9ClF3N3O3S/c1-21-12(14(16,17)18)19-20-13(21)25-5-6-2-11(23)24-10-4-9(22)8(15)3-7(6)10/h2-4,22H,5H2,1H3