N-[2-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide

Systemtic Name: N-[2-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: N-[2-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-2-oxo-ethyl]benzenesulfonamide CAS Name: N-[2-[3,5-dimethyl-4-[(4-nitrophenyl)thio]-1-pyrazolyl]-2-oxoethyl]benzenesulfonamide IUPAC Name: N-[2-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-2-oxoethyl]benzenesulfonamide Traditional Name: N-[2-[3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazol-1-yl]-2-keto-ethyl]benzenesulfonamide Formula: C19H18N4O5S2 MolecularWeight: 446.50002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)CNS(=O)(=O)C2=CC=CC=C2)C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(=O)CNS(=O)(=O)C2=CC=CC=C2)C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5S2/c1-13-19(29-16-10-8-15(9-11-16)23(25)26)14(2)22(21-13)18(24)12-20-30(27,28)17-6-4-3-5-7-17/h3-11,20H,12H2,1-2H3