2-[5-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]ethanenitrile

Systemtic Name: 2-[5-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]ethanenitrile Openeye Name: 2-[5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]acetonitrile CAS Name: 2-[5-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1H-1,2,4-triazol-3-yl]acetonitrile IUPAC Name: 2-[5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1H-1,2,4-triazol-3-yl]acetonitrile Traditional Name: 2-[5-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-1H-1,2,4-triazol-3-yl]acetonitrile Formula: C10H9N5OS MolecularWeight: 247.27636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9N5OS/c11-5-4-8-12-9(14-13-8)7-17-10-3-1-2-6-15(10)16/h1-3,6H,4,7H2,(H,12,13,14)