3-[[2,5-dimethyl-1-(2-methyl-5-nitro-phenyl)pyrrol-3-yl]methylidene]-2-imino-8-propan-2-yl-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one
Molecular Formula:
C
22
H
22
N
6
O
3
S
InChI:
InChI=1/C22H22N6O3S/c1-11(2)21-25-27-19(23)17(20(29)24-22(27)32-21)9-15-8-13(4)26(14(15)5)18-10-16(28(30)31)7-6-12(18)3/h6-11,23H,1-5H3/b17-9u,23-19-
InChIKey:
InChIKey=VUSDVINVPZQNBQ-UMPGWUCXBZ
SMILES:
CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=CC(=C2C)C=C3C(=N)N4C(=NC3=O)SC(=N4)C(C)C)C
Names:
3-[[2,5-dimethyl-1-(2-methyl-5-nitro-phenyl)pyrrol-3-yl]methylidene]-2-imino-8-propan-2-yl-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one
Registries:
PubChem CID 3543985
PubChem ID 4788496