(4-bromophenyl)-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]methanone

Systemtic Name: (4-bromophenyl)-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]methanone Openeye Name: (4-bromophenyl)-[3,5-dimethyl-4-(2-nitrophenyl)sulfanyl-pyrazol-1-yl]methanone CAS Name: (4-bromophenyl)-[3,5-dimethyl-4-[(2-nitrophenyl)thio]-1-pyrazolyl]methanone IUPAC Name: (4-bromophenyl)-[3,5-dimethyl-4-(2-nitrophenyl)sulfanylpyrazol-1-yl]methanone Traditional Name: (4-bromophenyl)-[3,5-dimethyl-4-[(2-nitrophenyl)thio]pyrazol-1-yl]methanone Formula: C18H14BrN3O3S MolecularWeight: 432.29106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN3O3S/c1-11-17(26-16-6-4-3-5-15(16)22(24)25)12(2)21(20-11)18(23)13-7-9-14(19)10-8-13/h3-10H,1-2H3