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

Systemtic Name: 2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-[(4-methylphenyl)methyl]-1H-pyrazol-2-ium-3-amine Openeye Name: 2-[(3S)-1,1-dioxothiolan-3-yl]-4-(p-tolylmethyl)-1H-pyrazol-2-ium-3-amine CAS Name: 2-[(3S)-1,1-dioxo-3-thiolanyl]-4-[(4-methylphenyl)methyl]-1H-pyrazol-2-ium-3-amine IUPAC Name: 2-[(3S)-1,1-dioxothiolan-3-yl]-4-[(4-methylphenyl)methyl]-1H-pyrazol-2-ium-3-amine Traditional Name: [2-[(3S)-1,1-diketothiolan-3-yl]-4-(4-methylbenzyl)-1H-pyrazol-2-ium-3-yl]amine Formula: C15H20N3O2S+ MolecularWeight: 306.4032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=CN[N+](=C2N)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=CC=C(C=C1)CC2=CN[N+](=C2N)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C15H19N3O2S/c1-11-2-4-12(5-3-11)8-13-9-17-18(15(13)16)14-6-7-21(19,20)10-14/h2-5,9,14H,6-8,10H2,1H3,(H2,16,17)/p+1/t14-/m0/s1