(3E)-7-(4-bromophenyl)-3-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methylidene]-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one
Molecular Formula:
C
29
H
22
BrN
5
O
2
S
InChI:
InChI=1/C29H22BrN5O2S/c1-18(2)37-24-14-10-19(11-15-24)26-21(17-34(32-26)23-6-4-3-5-7-23)16-25-28(36)35-29(38-25)31-27(33-35)20-8-12-22(30)13-9-20/h3-18H,1-2H3/b25-16+
InChIKey:
InChIKey=QLROXOCRLQVQRH-PCLIKHOPBE
SMILES:
CC(C)OC1=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-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methylidene]-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one
Registries:
PubChem CID 6259785
PubChem ID 11578774