[4-[(5-azanyl-3-oxidanylidene-1H-pyrazol-2-yl)methyl]phenyl]-dimethyl-sulfino-azanium

Systemtic Name: [4-[(5-azanyl-3-oxidanylidene-1H-pyrazol-2-yl)methyl]phenyl]-dimethyl-sulfino-azanium Openeye Name: [4-[(5-amino-3-oxo-1H-pyrazol-2-yl)methyl]phenyl]-dimethyl-sulfino-ammonium CAS Name: [4-[(5-amino-3-oxo-1H-pyrazol-2-yl)methyl]phenyl]-dimethyl-sulfinoammonium IUPAC Name: [4-[(5-amino-3-oxo-1H-pyrazol-2-yl)methyl]phenyl]-dimethyl-sulfinoazanium Traditional Name: [4-[(3-amino-5-keto-3-pyrazolin-1-yl)methyl]phenyl]-dimethyl-sulfino-ammonium Formula: C12H17N4O3S+ MolecularWeight: 297.35338

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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)/p+1