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

Systemtic Name: 3-[[3-azanyl-2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1H-pyrazol-2-ium-4-yl]methyl]phenol Openeye Name: 3-[[3-amino-2-[(3S)-1,1-dioxothiolan-3-yl]-1H-pyrazol-2-ium-4-yl]methyl]phenol CAS Name: 3-[[3-amino-2-[(3S)-1,1-dioxo-3-thiolanyl]-1H-pyrazol-2-ium-4-yl]methyl]phenol IUPAC Name: 3-[[3-amino-2-[(3S)-1,1-dioxothiolan-3-yl]-1H-pyrazol-2-ium-4-yl]methyl]phenol Traditional Name: 3-[[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(=CC=C3)O)N

Isomeric SMILES

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

InChI

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