4-[[2-imino-9-(2-methylpropylsulfanyl)-4-oxo-7-thia-1,5,8-triazabicyclo[4.3.0]nona-5,8-dien-3-ylidene]methyl]benzoic acid

Molecular Formula: C17H16N4O3S2


InChI: InChI=1/C17H16N4O3S2/c1-9(2)8-25-17-20-26-16-19-14(22)12(13(18)21(16)17)7-10-3-5-11(6-4-10)15(23)24/h3-7,9,18H,8H2,1-2H3,(H,23,24)/b12-7u,18-13+/f/h23H

InChIKey: InChIKey=BWRBKCRFGILICY-YAGODRESDS
SMILES: CC(C)CSC1=NSC2=NC(=O)C(=CC3=CC=C(C=C3)C(=O)O)C(=N)N21

Names:
    4-[[2-imino-9-(2-methylpropylsulfanyl)-4-oxo-7-thia-1,5,8-triazabicyclo[4.3.0]nona-5,8-dien-3-ylidene]methyl]benzoic acid

Registries:
    PubChem CID 4463576
    PubChem ID 6581013