7-(3-methylbenzofuran-2-yl)-3-[[3-(2-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one
Molecular Formula:
C
33
H
25
N
5
O
3
S
InChI:
InChI=1/C33H25N5O3S/c1-4-16-40-24-14-15-25(20(2)17-24)29-22(19-37(35-29)23-10-6-5-7-11-23)18-28-32(39)38-33(42-28)34-31(36-38)30-21(3)26-12-8-9-13-27(26)41-30/h4-15,17-19H,1,16H2,2-3H3
InChIKey:
InChIKey=DBKRKKKNXOWIPP-UHFFFAOYAW
SMILES:
CC1=C(C=CC(=C1)OCC=C)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=C(C6=CC=CC=C6O5)C)S3)C7=CC=CC=C7
Names:
7-(3-methylbenzofuran-2-yl)-3-[[3-(2-methyl-4-prop-2-enoxy-phenyl)-1-phenyl-pyrazol-4-yl]methylidene]-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one
Registries:
PubChem CID 4508062
PubChem ID 6632610
