6-ethyl-7-oxidanyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)chromen-4-one

Systemtic Name: 6-ethyl-7-oxidanyl-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)chromen-4-one Openeye Name: 6-ethyl-7-hydroxy-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)chromen-4-one CAS Name: 6-ethyl-7-hydroxy-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)-1-benzopyran-4-one IUPAC Name: 6-ethyl-7-hydroxy-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)chromen-4-one Traditional Name: 6-ethyl-7-hydroxy-3-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethyl)chromone Formula: C20H13F3N2O3S MolecularWeight: 418.38903

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=NN=C(S3)C4=CC=CC=C4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C(F)(F)F)C3=NN=C(S3)C4=CC=CC=C4)O

InChI

InChI=1S/C20H13F3N2O3S/c1-2-10-8-12-14(9-13(10)26)28-17(20(21,22)23)15(16(12)27)19-25-24-18(29-19)11-6-4-3-5-7-11/h3-9,26H,2H2,1H3