3-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C13H10N4O2S/c18-13-10-5-1-2-6-11(10)14-15-16(13)9-20-12-7-3-4-8-17(12)19/h1-8H,9H2