N-[7-(3,5-dimethylphenyl)-3-thia-6,7-diazabicyclo[3.3.0]octa-5,8-dien-8-yl]-4-methyl-3-nitro-benzamide
Molecular Formula:
C
21
H
20
N
4
O
3
S
InChI:
InChI=1/C21H20N4O3S/c1-12-6-13(2)8-16(7-12)24-20(17-10-29-11-18(17)23-24)22-21(26)15-5-4-14(3)19(9-15)25(27)28/h4-9H,10-11H2,1-3H3,(H,22,26)/f/h22H
InChIKey:
InChIKey=FCAKJYIMCFOZHT-QWOVJGMICP
SMILES:
CC1=C(C=C(C=C1)C(=O)NC2=C3CSCC3=NN2C4=CC(=CC(=C4)C)C)[N+](=O)[O-]
Names:
N-[7-(3,5-dimethylphenyl)-3-thia-6,7-diazabicyclo[3.3.0]octa-5,8-dien-8-yl]-4-methyl-3-nitro-benzamide
Registries:
PubChem CID 4246053
PubChem ID 8397906
