methyl 5-(4-bromophenyl)sulfanyl-4-[(E)-hydroxyiminomethyl]-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: methyl 5-(4-bromophenyl)sulfanyl-4-[(E)-hydroxyiminomethyl]-1-phenyl-pyrazole-3-carboxylate Openeye Name: methyl 5-(4-bromophenyl)sulfanyl-4-[(E)-hydroxyiminomethyl]-1-phenyl-pyrazole-3-carboxylate CAS Name: 5-[(4-bromophenyl)thio]-4-[(E)-hydroxyiminomethyl]-1-phenyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-bromophenyl)sulfanyl-4-[(E)-hydroxyiminomethyl]-1-phenylpyrazole-3-carboxylate Traditional Name: 5-[(4-bromophenyl)thio]-4-[(E)-hydroximinomethyl]-1-phenyl-pyrazole-3-carboxylic acid methyl ester Formula: C18H14BrN3O3S MolecularWeight: 432.29106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=C1C=NO)SC2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=NN(C(=C1/C=N/O)SC2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C18H14BrN3O3S/c1-25-18(23)16-15(11-20-24)17(26-14-9-7-12(19)8-10-14)22(21-16)13-5-3-2-4-6-13/h2-11,24H,1H3/b20-11+