(5Z)-2-(4-butoxyphenyl)-5-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Systemtic Name: (5Z)-2-(4-butoxyphenyl)-5-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one Openeye Name: (5Z)-2-(4-butoxyphenyl)-5-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylene]thiazolo[3,2-b][1,2,4]triazol-6-one CAS Name: (5Z)-2-(4-butoxyphenyl)-5-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methylidene]-6-thiazolo[3,2-b][1,2,4]triazolone IUPAC Name: (5Z)-2-(4-butoxyphenyl)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one Traditional Name: (5Z)-2-(4-butoxyphenyl)-5-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methylene]thiazolo[3,2-b][1,2,4]triazol-6-one Formula: C30H24FN5O2S MolecularWeight: 537.607263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC=C(C=C5)F)C6=CC=CC=C6)SC3=N2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C/C4=CN(N=C4C5=CC=C(C=C5)F)C6=CC=CC=C6)/SC3=N2

InChI

InChI=1S/C30H24FN5O2S/c1-2-3-17-38-25-15-11-21(12-16-25)28-32-30-36(34-28)29(37)26(39-30)18-22-19-35(24-7-5-4-6-8-24)33-27(22)20-9-13-23(31)14-10-20/h4-16,18-19H,2-3,17H2,1H3/b26-18-