2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-(pyridin-3-ylmethyl)-1H-pyrazol-2-ium-3-amine

Systemtic Name: 2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-(pyridin-3-ylmethyl)-1H-pyrazol-2-ium-3-amine Openeye Name: 2-[(3S)-1,1-dioxothiolan-3-yl]-4-(3-pyridylmethyl)-1H-pyrazol-2-ium-3-amine CAS Name: 2-[(3S)-1,1-dioxo-3-thiolanyl]-4-(3-pyridinylmethyl)-1H-pyrazol-2-ium-3-amine IUPAC Name: 2-[(3S)-1,1-dioxothiolan-3-yl]-4-(pyridin-3-ylmethyl)-1H-pyrazol-2-ium-3-amine Traditional Name: [2-[(3S)-1,1-diketothiolan-3-yl]-4-(3-pyridylmethyl)-1H-pyrazol-2-ium-3-yl]amine Formula: C13H17N4O2S+ MolecularWeight: 293.36468

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[N+]2=C(C(=CN2)CC3=CN=CC=C3)N

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[N+]2=C(C(=CN2)CC3=CN=CC=C3)N

InChI

InChI=1S/C13H16N4O2S/c14-13-11(6-10-2-1-4-15-7-10)8-16-17(13)12-3-5-20(18,19)9-12/h1-2,4,7-8,12H,3,5-6,9H2,(H2,14,16)/p+1/t12-/m0/s1