5-(4-bromophenyl)sulfanyl-3-methyl-4-nitro-1-phenyl-pyrazole

Systemtic Name: 5-(4-bromophenyl)sulfanyl-3-methyl-4-nitro-1-phenyl-pyrazole Openeye Name: 5-(4-bromophenyl)sulfanyl-3-methyl-4-nitro-1-phenyl-pyrazole CAS Name: 5-[(4-bromophenyl)thio]-3-methyl-4-nitro-1-phenylpyrazole IUPAC Name: 5-(4-bromophenyl)sulfanyl-3-methyl-4-nitro-1-phenylpyrazole Traditional Name: 5-[(4-bromophenyl)thio]-3-methyl-4-nitro-1-phenyl-pyrazole Formula: C16H12BrN3O2S MolecularWeight: 390.25438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])SC2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])SC2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C16H12BrN3O2S/c1-11-15(20(21)22)16(23-14-9-7-12(17)8-10-14)19(18-11)13-5-3-2-4-6-13/h2-10H,1H3