sodium 8-benzothiazol-2-yl-2-methyl-9-oxo-3-(pyridin-3-ylmethyl)-3,7,8-triazabicyclo[4.3.0]nona-1,4,6-trien-4-olate
Molecular Formula:
C
20
H
14
N
5
NaO
2
S
InChI:
InChI=1/C20H15N5O2S.Na/c1-12-18-15(9-17(26)24(12)11-13-5-4-8-21-10-13)23-25(19(18)27)20-22-14-6-2-3-7-16(14)28-20;/h2-10,26H,11H2,1H3;/q;+1/p-1/fC20H14N5O2S.Na/h26h;/q-1;m
InChIKey:
InChIKey=DVYFDGICBLNGIL-SEBYSZKPCY
SMILES:
CC1=C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C=C(N1CC5=CN=CC=C5)[O-].[Na+]
Names:
sodium 8-benzothiazol-2-yl-2-methyl-9-oxo-3-(pyridin-3-ylmethyl)-3,7,8-triazabicyclo[4.3.0]nona-1,4,6-trien-4-olate
Registries:
PubChem CID 6093799
PubChem ID 8386257