(3E)-7-(4-bromophenyl)-3-[[3-[4-(3-methylbutoxy)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
31
H
26
BrN
5
O
2
S
InChI:
InChI=1/C31H26BrN5O2S/c1-20(2)16-17-39-26-14-10-21(11-15-26)28-23(19-36(34-28)25-6-4-3-5-7-25)18-27-30(38)37-31(40-27)33-29(35-37)22-8-12-24(32)13-9-22/h3-15,18-20H,16-17H2,1-2H3/b27-18+
InChIKey:
InChIKey=KLSBJXVHEDUFIN-OVVQPSECBI
SMILES:
CC(C)CCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)Br)S3)C6=CC=CC=C6
Names:
(3E)-7-(4-bromophenyl)-3-[[3-[4-(3-methylbutoxy)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 6274080
PubChem ID 11584842
