(3E)-3-[[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-8-ethyl-2-imino-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one
Molecular Formula:
C
22
H
23
N
5
O
2
S
InChI:
InChI=1/C22H23N5O2S/c1-5-19-25-27-20(23)18(21(28)24-22(27)30-19)12-15-11-13(3)26(14(15)4)16-7-9-17(10-8-16)29-6-2/h7-12,23H,5-6H2,1-4H3/b18-12+,23-20-
InChIKey:
InChIKey=PNFXCLWQNNRJQQ-INNVFMJMBS
SMILES:
CCC1=NN2C(=N)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)OCC)C)C(=O)N=C2S1
Names:
(3E)-3-[[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-8-ethyl-2-imino-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one
Registries:
PubChem CID 6381583
PubChem ID 11607194