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

Systemtic Name: 4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-4-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C14H10F3N3O3S MolecularWeight: 357.30771

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)O)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)O)C(F)(F)F

InChI

InChI=1S/C14H10F3N3O3S/c1-20-12(14(15,16)17)18-19-13(20)24-6-7-4-11(22)23-10-5-8(21)2-3-9(7)10/h2-5,21H,6H2,1H3