2-tert-butyl-4-chloranyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-4H-pyridazin-2-ium-3-one

Systemtic Name: 2-tert-butyl-4-chloranyl-5-(1H-1,2,4-triazol-5-ylsulfanyl)-4H-pyridazin-2-ium-3-one Openeye Name: 2-tert-butyl-4-chloro-5-(1H-1,2,4-triazol-5-ylsulfanyl)-4H-pyridazin-2-ium-3-one CAS Name: 2-tert-butyl-4-chloro-5-(1H-1,2,4-triazol-5-ylthio)-4H-pyridazin-2-ium-3-one IUPAC Name: 2-tert-butyl-4-chloro-5-(1H-1,2,4-triazol-5-ylsulfanyl)-4H-pyridazin-2-ium-3-one Traditional Name: 2-tert-butyl-4-chloro-5-(1H-1,2,4-triazol-5-ylthio)-4H-pyridazin-2-ium-3-one Formula: C10H13ClN5OS+ MolecularWeight: 286.76112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]1=NC=C(C(C1=O)Cl)SC2=NC=NN2

Isomeric SMILES

CC(C)(C)[N+]1=NC=C(C(C1=O)Cl)SC2=NC=NN2

InChI

InChI=1S/C10H13ClN5OS/c1-10(2,3)16-8(17)7(11)6(4-14-16)18-9-12-5-13-15-9/h4-5,7H,1-3H3,(H,12,13,15)/q+1