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

Systemtic Name: 4-bromanyl-N-[2-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-2-oxidanylidene-ethyl]benzenesulfonamide Openeye Name: 4-bromo-N-[2-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-2-oxo-ethyl]benzenesulfonamide CAS Name: 4-bromo-N-[2-[3,5-dimethyl-4-[(4-nitrophenyl)thio]-1-pyrazolyl]-2-oxoethyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[2-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-2-oxoethyl]benzenesulfonamide Traditional Name: 4-bromo-N-[2-[3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazol-1-yl]-2-keto-ethyl]benzenesulfonamide Formula: C19H17BrN4O5S2 MolecularWeight: 525.39608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN4O5S2/c1-12-19(30-16-7-5-15(6-8-16)24(26)27)13(2)23(22-12)18(25)11-21-31(28,29)17-9-3-14(20)4-10-17/h3-10,21H,11H2,1-2H3