1-oxidanidyl-2-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylsulfanyl]pyridin-1-ium

Systemtic Name: 1-oxidanidyl-2-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylsulfanyl]pyridin-1-ium Openeye Name: 1-oxido-2-[[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]methylsulfanyl]pyridin-1-ium CAS Name: 1-oxido-2-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylthio]pyridin-1-ium IUPAC Name: 1-oxido-2-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylsulfanyl]pyridin-1-ium Traditional Name: 1-oxido-2-[[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]methylthio]pyridin-1-ium Formula: C13H11N5OS MolecularWeight: 285.32434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC2=NC(=NN2)C3=CC=NC=C3)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC2=NC(=NN2)C3=CC=NC=C3)[O-]

InChI

InChI=1S/C13H11N5OS/c19-18-8-2-1-3-12(18)20-9-11-15-13(17-16-11)10-4-6-14-7-5-10/h1-8H,9H2,(H,15,16,17)