6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1-oxidanidyl-quinolin-1-ium

Systemtic Name: 6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1-oxidanidyl-quinolin-1-ium Openeye Name: 6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1-oxido-quinolin-1-ium CAS Name: 6-[[6-(1-methyl-4-pyrazolyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]thio]-1-oxidoquinolin-1-ium IUPAC Name: 6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1-oxidoquinolin-1-ium Traditional Name: 6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]thio]-1-oxido-quinolin-1-ium Formula: C18H13N7OS MolecularWeight: 375.40712

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=NN3C(=NN=C3SC4=CC5=C(C=C4)[N+](=CC=C5)[O-])C=C2

Isomeric SMILES

CN1C=C(C=N1)C2=NN3C(=NN=C3SC4=CC5=C(C=C4)[N+](=CC=C5)[O-])C=C2

InChI

InChI=1S/C18H13N7OS/c1-23-11-13(10-19-23)15-5-7-17-20-21-18(25(17)22-15)27-14-4-6-16-12(9-14)3-2-8-24(16)26/h2-11H,1H3