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

Systemtic Name: 2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-(furan-2-ylmethyl)-1H-pyrazol-2-ium-3-amine Openeye Name: 2-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-furylmethyl)-1H-pyrazol-2-ium-3-amine CAS Name: 2-[(3S)-1,1-dioxo-3-thiolanyl]-4-(2-furanylmethyl)-1H-pyrazol-2-ium-3-amine IUPAC Name: 2-[(3S)-1,1-dioxothiolan-3-yl]-4-(furan-2-ylmethyl)-1H-pyrazol-2-ium-3-amine Traditional Name: [2-[(3S)-1,1-diketothiolan-3-yl]-4-(2-furfuryl)-1H-pyrazol-2-ium-3-yl]amine Formula: C12H16N3O3S+ MolecularWeight: 282.33874

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[N+]2=C(C(=CN2)CC3=CC=CO3)N

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[N+]2=C(C(=CN2)CC3=CC=CO3)N

InChI

InChI=1S/C12H15N3O3S/c13-12-9(6-11-2-1-4-18-11)7-14-15(12)10-3-5-19(16,17)8-10/h1-2,4,7,10H,3,5-6,8H2,(H2,13,14)/p+1/t10-/m0/s1