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

Systemtic Name: 2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-(phenylmethyl)-1H-pyrazol-2-ium-3-amine Openeye Name: 4-benzyl-2-[(3S)-1,1-dioxothiolan-3-yl]-1H-pyrazol-2-ium-3-amine CAS Name: 2-[(3S)-1,1-dioxo-3-thiolanyl]-4-(phenylmethyl)-1H-pyrazol-2-ium-3-amine IUPAC Name: 4-benzyl-2-[(3S)-1,1-dioxothiolan-3-yl]-1H-pyrazol-2-ium-3-amine Traditional Name: [4-benzyl-2-[(3S)-1,1-diketothiolan-3-yl]-1H-pyrazol-2-ium-3-yl]amine Formula: C14H18N3O2S+ MolecularWeight: 292.37662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2S/c15-14-12(8-11-4-2-1-3-5-11)9-16-17(14)13-6-7-20(18,19)10-13/h1-5,9,13H,6-8,10H2,(H2,15,16)/p+1/t13-/m0/s1