(3E)-3-[[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-7-(4-prop-2-enoxyphenyl)-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one
Molecular Formula:
C
33
H
29
N
5
O
3
S
InChI:
InChI=1/C33H29N5O3S/c1-3-5-20-41-28-15-11-23(12-16-28)30-25(22-37(35-30)26-9-7-6-8-10-26)21-29-32(39)38-33(42-29)34-31(36-38)24-13-17-27(18-14-24)40-19-4-2/h4,6-18,21-22H,2-3,5,19-20H2,1H3/b29-21+
InChIKey:
InChIKey=DZQOGYVVBLTMMS-XHLNEMQHBY
SMILES:
CCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)OCC=C)S3)C6=CC=CC=C6
Names:
(3E)-3-[[3-(4-butoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-7-(4-prop-2-enoxyphenyl)-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one
Registries:
PubChem CID 6318734
PubChem ID 11598687
