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

Systemtic Name: 2-[3-[dimethyl(sulfinato)azaniumyl]phenyl]-5-methyl-3-oxidanylidene-1H-pyrazole Openeye Name: 2-[3-[dimethyl(sulfinato)ammonio]phenyl]-5-methyl-3-oxo-1H-pyrazole CAS Name: 2-[3-[dimethyl(sulfinato)ammonio]phenyl]-5-methyl-3-oxo-1H-pyrazole IUPAC Name: 2-[3-[dimethyl(sulfinato)azaniumyl]phenyl]-5-methyl-3-oxo-1H-pyrazole Traditional Name: 1-[3-[dimethyl(sulfinato)ammonio]phenyl]-5-keto-3-methyl-3-pyrazoline Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)C2=CC(=CC=C2)[N+](C)(C)S(=O)[O-]

Isomeric SMILES

CC1=CC(=O)N(N1)C2=CC(=CC=C2)[N+](C)(C)S(=O)[O-]

InChI

InChI=1S/C12H15N3O3S/c1-9-7-12(16)14(13-9)10-5-4-6-11(8-10)15(2,3)19(17)18/h4-8H,1-3H3,(H-,13,16,17,18)