3-[[3-(4-methoxy-3-nitro-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
21
H
14
N
6
O
4
S
InChI:
InChI=1/C21H14N6O4S/c1-31-17-8-7-13(9-16(17)27(29)30)19-14(11-25(24-19)15-5-3-2-4-6-15)10-18-20(28)26-21(32-18)22-12-23-26/h2-12H,1H3
InChIKey:
InChIKey=PPJDJBPWPUQNAE-UHFFFAOYAG
SMILES:
COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC=N4)S3)C5=CC=CC=C5)[N+](=O)[O-]
Names:
3-[[3-(4-methoxy-3-nitro-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 4503252
PubChem ID 6627168