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

Systemtic Name: 4-[[3-azanyl-2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1H-pyrazol-2-ium-4-yl]methyl]phenol Openeye Name: 4-[[3-amino-2-[(3S)-1,1-dioxothiolan-3-yl]-1H-pyrazol-2-ium-4-yl]methyl]phenol CAS Name: 4-[[3-amino-2-[(3S)-1,1-dioxo-3-thiolanyl]-1H-pyrazol-2-ium-4-yl]methyl]phenol IUPAC Name: 4-[[3-amino-2-[(3S)-1,1-dioxothiolan-3-yl]-1H-pyrazol-2-ium-4-yl]methyl]phenol Traditional Name: 4-[[3-amino-2-[(3S)-1,1-diketothiolan-3-yl]-1H-pyrazol-2-ium-4-yl]methyl]phenol Formula: C14H18N3O3S+ MolecularWeight: 308.37602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3S/c15-14-11(7-10-1-3-13(18)4-2-10)8-16-17(14)12-5-6-21(19,20)9-12/h1-4,8,12H,5-7,9H2,(H3,15,16,18)/p+1/t12-/m0/s1