3-[[3-(2-methyl-2,3-dihydrobenzofuran-5-yl)-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:
C
33
H
29
N
5
O
2
S
InChI:
InChI=1/C33H29N5O2S/c1-20-16-23-17-22(12-15-27(23)40-20)29-24(19-37(35-29)26-8-6-5-7-9-26)18-28-31(39)38-32(41-28)34-30(36-38)21-10-13-25(14-11-21)33(2,3)4/h5-15,17-20H,16H2,1-4H3
InChIKey:
InChIKey=ULJGZWYTAFOWNP-UHFFFAOYAA
SMILES:
CC1CC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C4C(=O)N5C(=NC(=N5)C6=CC=C(C=C6)C(C)(C)C)S4)C7=CC=CC=C7
Names:
3-[[3-(2-methyl-2,3-dihydrobenzofuran-5-yl)-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 4508485
PubChem ID 6633095
