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

Systemtic Name: 2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-(4-methylphenyl)-1H-pyrazol-2-ium-3-amine Openeye Name: 2-[(3S)-1,1-dioxothiolan-3-yl]-5-(p-tolyl)-1H-pyrazol-2-ium-3-amine CAS Name: 2-[(3S)-1,1-dioxo-3-thiolanyl]-5-(4-methylphenyl)-1H-pyrazol-2-ium-3-amine IUPAC Name: 2-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-methylphenyl)-1H-pyrazol-2-ium-3-amine Traditional Name: [2-[(3S)-1,1-diketothiolan-3-yl]-5-(p-tolyl)-1H-pyrazol-2-ium-3-yl]amine Formula: C14H18N3O2S+ MolecularWeight: 292.37662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=[N+](N2)C3CCS(=O)(=O)C3)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=[N+](N2)[C@H]3CCS(=O)(=O)C3)N

InChI

InChI=1S/C14H17N3O2S/c1-10-2-4-11(5-3-10)13-8-14(15)17(16-13)12-6-7-20(18,19)9-12/h2-5,8,12H,6-7,9H2,1H3,(H2,15,16)/p+1/t12-/m0/s1