3-[[3-(2-methyl-2,3-dihydrobenzofuran-5-yl)-1-phenyl-pyrazol-4-yl]methylidene]-7-pyridin-3-yl-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one
Molecular Formula:
C
28
H
20
N
6
O
2
S
InChI:
InChI=1/C28H20N6O2S/c1-17-12-20-13-18(9-10-23(20)36-17)25-21(16-33(31-25)22-7-3-2-4-8-22)14-24-27(35)34-28(37-24)30-26(32-34)19-6-5-11-29-15-19/h2-11,13-17H,12H2,1H3
InChIKey:
InChIKey=FSUPKOIDZFUPEJ-UHFFFAOYAI
SMILES:
CC1CC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C4C(=O)N5C(=NC(=N5)C6=CN=CC=C6)S4)C7=CC=CC=C7
Names:
3-[[3-(2-methyl-2,3-dihydrobenzofuran-5-yl)-1-phenyl-pyrazol-4-yl]methylidene]-7-pyridin-3-yl-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one
Registries:
PubChem CID 4508493
PubChem ID 6633103
