3-[[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-imino-8-methylsulfanyl-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one
Molecular Formula:
C
21
H
21
N
5
OS
2
InChI:
InChI=1/C21H21N5OS2/c1-11-6-12(2)8-16(7-11)25-13(3)9-15(14(25)4)10-17-18(22)26-20(23-19(17)27)29-21(24-26)28-5/h6-10,22H,1-5H3/b17-10u,22-18-
InChIKey:
InChIKey=NXCNJYJMKVVRMB-DUFSYJMOBQ
SMILES:
CC1=CC(=CC(=C1)N2C(=CC(=C2C)C=C3C(=N)N4C(=NC3=O)SC(=N4)SC)C)C
Names:
3-[[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-imino-8-methylsulfanyl-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one
Registries:
PubChem CID 3548299
PubChem ID 4796247