1-(4-bromophenyl)sulfonyl-3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazole

Systemtic Name: 1-(4-bromophenyl)sulfonyl-3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazole Openeye Name: 1-(4-bromophenyl)sulfonyl-3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazole CAS Name: 1-(4-bromophenyl)sulfonyl-3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazole IUPAC Name: 1-(4-bromophenyl)sulfonyl-3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazole Traditional Name: 1-brosyl-3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazole Formula: C17H14BrN3O4S2 MolecularWeight: 468.34476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)C2=CC=C(C=C2)Br)C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C2=CC=C(C=C2)Br)C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14BrN3O4S2/c1-11-17(26-15-7-5-14(6-8-15)21(22)23)12(2)20(19-11)27(24,25)16-9-3-13(18)4-10-16/h3-10H,1-2H3