3-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-7-(4-tert-butylphenyl)-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one
Molecular Formula:
C36H37N5O2S
InChI: InChI=1/C36H37N5O2S/c1-5-6-7-11-22-43-30-20-16-25(17-21-30)32-27(24-40(38-32)29-12-9-8-10-13-29)23-31-34(42)41-35(44-31)37-33(39-41)26-14-18-28(19-15-26)36(2,3)4/h8-10,12-21,23-24H,5-7,11,22H2,1-4H3
InChIKey: InChIKey=MXXQKFIDXUDIBB-UHFFFAOYAB
SMILES: CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)C(C)(C)C)S3)C6=CC=CC=C6
Names:
3-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-7-(4-tert-butylphenyl)-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one
Registries:
PubChem CID 4506952
PubChem ID 6631327
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