3-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-7-pyridin-4-yl-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one
Molecular Formula:
C
31
H
28
N
6
O
2
S
InChI:
InChI=1/C31H28N6O2S/c1-2-3-4-8-19-39-26-13-11-22(12-14-26)28-24(21-36(34-28)25-9-6-5-7-10-25)20-27-30(38)37-31(40-27)33-29(35-37)23-15-17-32-18-16-23/h5-7,9-18,20-21H,2-4,8,19H2,1H3
InChIKey:
InChIKey=CQPYNPRAQNPPNV-UHFFFAOYAI
SMILES:
CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=NC=C5)S3)C6=CC=CC=C6
Names:
3-[[3-(4-hexoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-7-pyridin-4-yl-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one
Registries:
PubChem CID 4507114
PubChem ID 6631530
