3-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]-7-(4-tert-butylphenyl)-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one
Molecular Formula:
C
28
H
23
N
5
OS
2
InChI:
InChI=1/C28H23N5OS2/c1-28(2,3)20-13-11-18(12-14-20)25-29-27-33(31-25)26(34)23(36-27)16-19-17-32(21-8-5-4-6-9-21)30-24(19)22-10-7-15-35-22/h4-17H,1-3H3
InChIKey:
InChIKey=ZBKFWQLLYYRYLS-UHFFFAOYAK
SMILES:
CC(C)(C)C1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CN(N=C4C5=CC=CS5)C6=CC=CC=C6)SC3=N2
Names:
3-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylidene]-7-(4-tert-butylphenyl)-4-thia-1,6,8-triazabicyclo[3.3.0]octa-5,7-dien-2-one
Registries:
PubChem CID 4502947
PubChem ID 6626840