← Back

Nom: 2-[3,5-dichloro-4-(5-isopropyl-6-oxo-1,6-dihydro-pyridazin-3-ylsulfanyl)-phenyl]-3,5-dioxo-2,3,4,5-tetrahydro-[1,2,4]triazine-6-carboxylic acid

IUPAC: 2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)sulfanyl]phenyl]-3,5-dioxo-1,2,4-triazine-6-carboxylic acid

SMILES: CC(C)c1cc(Sc2c(Cl)cc(-n3nc(C(=O)O)c(=O)[nH]c3=O)cc2Cl)n[nH]c1=O

Canonical SMILES: CC(C)C1=CC(=NNC1=O)SC2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C(=N3)C(=O)O)Cl

Formule moléculaire: C17H13Cl2N5O5S

Masse molaire: 470.30

InChIKey: INACUJKONWKJQA-UHFFFAOYSA-N

InChI: InChI=1S/C17H13Cl2N5O5S/c1-6(2)8-5-11(21-22-14(8)25)30-13-9(18)3-7(4-10(13)19)24-17(29)20-15(26)12(23-24)16(27)28/h3-6H,1-2H3,(H,22,25)(H,27,28)(H,20,26,29)

PubChem CID: 59834448 →

Synonymes

SCHEMBL2927153INACUJKONWKJQA-UHFFFAOYSA-N2-[3,5-Dichloro-4-(5-isopropyl-6-oxo-1,6-dihydro-pyridazin-3-ylsulfanyl)-phenyl]-3,5-dioxo-2,3,4,5-tetrahydro-[1,2,4]triazine-6-carboxylic acid

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→