7-(3-methylbenzofuran-2-yl)-3-[[3-(2-methyl-4-propoxy-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
27
N
5
O
3
S
InChI:
InChI=1/C33H27N5O3S/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/h5-15,17-19H,4,16H2,1-3H3
InChIKey:
InChIKey=CCINITSAQLGZQS-UHFFFAOYAT
SMILES:
CCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=C(C6=CC=CC=C6O5)C)S3)C7=CC=CC=C7)C
Names:
7-(3-methylbenzofuran-2-yl)-3-[[3-(2-methyl-4-propoxy-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 4506301
PubChem ID 6630592
