(3E)-3-[[3-[3-methyl-4-(3-methylbutoxy)phenyl]-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
35
H
33
N
5
O
3
S
InChI:
InChI=1/C35H33N5O3S/c1-5-18-42-29-14-11-25(12-15-29)33-36-35-40(38-33)34(41)31(44-35)21-27-22-39(28-9-7-6-8-10-28)37-32(27)26-13-16-30(24(4)20-26)43-19-17-23(2)3/h5-16,20-23H,1,17-19H2,2-4H3/b31-21+
InChIKey:
InChIKey=MMYMRGRBBZMFEQ-NJZRLIGZBG
SMILES:
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)OCC=C)S3)C6=CC=CC=C6)OCCC(C)C
Names:
(3E)-3-[[3-[3-methyl-4-(3-methylbutoxy)phenyl]-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 6318741
PubChem ID 11598694
