7-(7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien-9-yl)-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
29
H
20
N
6
O
6
S
InChI:
InChI=1/C29H20N6O6S/c1-39-21-12-11-17(13-20(21)35(37)38)26-18(15-33(31-26)19-7-3-2-4-8-19)14-25-28(36)34-29(42-25)30-27(32-34)24-16-40-22-9-5-6-10-23(22)41-24/h2-15,24H,16H2,1H3
InChIKey:
InChIKey=VKDHHZZOZYWHIP-UHFFFAOYAM
SMILES:
COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=N4)C5COC6=CC=CC=C6O5)S3)C7=CC=CC=C7)[N+](=O)[O-]
Names:
7-(7,10-dioxabicyclo[4.4.0]deca-1,3,5-trien-9-yl)-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 4503265
PubChem ID 6627181
