5-azanyl-2-[[4-[dimethyl(sulfinato)azaniumyl]phenyl]methyl]-3-oxidanylidene-1H-pyrazole

Systemtic Name: 5-azanyl-2-[[4-[dimethyl(sulfinato)azaniumyl]phenyl]methyl]-3-oxidanylidene-1H-pyrazole Openeye Name: 5-amino-2-[[4-[dimethyl(sulfinato)ammonio]phenyl]methyl]-3-oxo-1H-pyrazole CAS Name: 5-amino-2-[[4-[dimethyl(sulfinato)ammonio]phenyl]methyl]-3-oxo-1H-pyrazole IUPAC Name: 5-amino-2-[[4-[dimethyl(sulfinato)azaniumyl]phenyl]methyl]-3-oxo-1H-pyrazole Traditional Name: 3-amino-1-[4-[dimethyl(sulfinato)ammonio]benzyl]-5-keto-3-pyrazoline Formula: C12H16N4O3S MolecularWeight: 296.34544

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=CC=C(C=C1)CN2C(=O)C=C(N2)N)S(=O)[O-]

Isomeric SMILES

C[N+](C)(C1=CC=C(C=C1)CN2C(=O)C=C(N2)N)S(=O)[O-]

InChI

InChI=1S/C12H16N4O3S/c1-16(2,20(18)19)10-5-3-9(4-6-10)8-15-12(17)7-11(13)14-15/h3-7H,8H2,1-2H3,(H3-,13,14,17,18,19)