methyl 4-[(E)-hydroxyiminomethyl]-5-(2-methoxycarbonylphenyl)sulfanyl-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: methyl 4-[(E)-hydroxyiminomethyl]-5-(2-methoxycarbonylphenyl)sulfanyl-1-phenyl-pyrazole-3-carboxylate Openeye Name: methyl 4-[(E)-hydroxyiminomethyl]-5-(2-methoxycarbonylphenyl)sulfanyl-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-[(E)-hydroxyiminomethyl]-5-[(2-methoxycarbonylphenyl)thio]-1-phenyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-[(E)-hydroxyiminomethyl]-5-(2-methoxycarbonylphenyl)sulfanyl-1-phenylpyrazole-3-carboxylate Traditional Name: 5-[(2-carbomethoxyphenyl)thio]-4-[(E)-hydroximinomethyl]-1-phenyl-pyrazole-3-carboxylic acid methyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1SC2=C(C(=NN2C3=CC=CC=C3)C(=O)OC)C=NO

Isomeric SMILES

COC(=O)C1=CC=CC=C1SC2=C(C(=NN2C3=CC=CC=C3)C(=O)OC)/C=N/O

InChI

InChI=1S/C20H17N3O5S/c1-27-19(24)14-10-6-7-11-16(14)29-18-15(12-21-26)17(20(25)28-2)22-23(18)13-8-4-3-5-9-13/h3-12,26H,1-2H3/b21-12+