7-(7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien-9-yl)-3-[[3-(3-methyl-4-phenylmethoxy-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
36
H
27
N
5
O
4
S
InChI:
InChI=1/C36H27N5O4S/c1-23-18-25(16-17-28(23)43-21-24-10-4-2-5-11-24)33-26(20-40(38-33)27-12-6-3-7-13-27)19-32-35(42)41-36(46-32)37-34(39-41)31-22-44-29-14-8-9-15-30(29)45-31/h2-20,31H,21-22H2,1H3
InChIKey:
InChIKey=CPBXYDJXAYEJKW-UHFFFAOYAC
SMILES:
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5COC6=CC=CC=C6O5)S3)C7=CC=CC=C7)OCC8=CC=CC=C8
Names:
7-(7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien-9-yl)-3-[[3-(3-methyl-4-phenylmethoxy-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 4508915
PubChem ID 6633588