8-benzylsulfanyl-3-[[5-chloro-2-(4-methylphenyl)sulfonyloxy-phenyl]methylidene]-2-imino-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one
Molecular Formula:
C
26
H
19
ClN
4
O
4
S
3
InChI:
InChI=1/C26H19ClN4O4S3/c1-16-7-10-20(11-8-16)38(33,34)35-22-12-9-19(27)13-18(22)14-21-23(28)31-25(29-24(21)32)37-26(30-31)36-15-17-5-3-2-4-6-17/h2-14,28H,15H2,1H3/b21-14u,28-23+
InChIKey:
InChIKey=RQEZCOPCILTXTL-NPJWDSEGBW
SMILES:
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Cl)C=C3C(=N)N4C(=NC3=O)SC(=N4)SCC5=CC=CC=C5
Names:
8-benzylsulfanyl-3-[[5-chloro-2-(4-methylphenyl)sulfonyloxy-phenyl]methylidene]-2-imino-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one
Registries:
PubChem CID 3551612
PubChem ID 4801985
