4-[(Z)-(8-benzylsulfanyl-2-imino-4-oxo-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-3-ylidene)methyl]benzoic acid
Molecular Formula:
C
20
H
14
N
4
O
3
S
2
InChI:
InChI=1/C20H14N4O3S2/c21-16-15(10-12-6-8-14(9-7-12)18(26)27)17(25)22-19-24(16)23-20(29-19)28-11-13-4-2-1-3-5-13/h1-10,21H,11H2,(H,26,27)/b15-10-,21-16-/f/h26H
InChIKey:
InChIKey=ZCCNPNMJHAVASI-VXKICLAJDT
SMILES:
C1=CC=C(C=C1)CSC2=NN3C(=N)C(=CC4=CC=C(C=C4)C(=O)O)C(=O)N=C3S2
Names:
4-[(Z)-(8-benzylsulfanyl-2-imino-4-oxo-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-3-ylidene)methyl]benzoic acid
Registries:
PubChem CID 2176943
PubChem ID 11553683
