2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-(4-chlorophenyl)-1H-pyrazol-2-ium-3-amine

Systemtic Name: 2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-(4-chlorophenyl)-1H-pyrazol-2-ium-3-amine Openeye Name: 5-(4-chlorophenyl)-2-[(3S)-1,1-dioxothiolan-3-yl]-1H-pyrazol-2-ium-3-amine CAS Name: 5-(4-chlorophenyl)-2-[(3S)-1,1-dioxo-3-thiolanyl]-1H-pyrazol-2-ium-3-amine IUPAC Name: 5-(4-chlorophenyl)-2-[(3S)-1,1-dioxothiolan-3-yl]-1H-pyrazol-2-ium-3-amine Traditional Name: [5-(4-chlorophenyl)-2-[(3S)-1,1-diketothiolan-3-yl]-1H-pyrazol-2-ium-3-yl]amine Formula: C13H15ClN3O2S+ MolecularWeight: 312.7951

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1[N+]2=C(C=C(N2)C3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1[N+]2=C(C=C(N2)C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C13H14ClN3O2S/c14-10-3-1-9(2-4-10)12-7-13(15)17(16-12)11-5-6-20(18,19)8-11/h1-4,7,11H,5-6,8H2,(H2,15,16)/p+1/t11-/m0/s1