methyl 4-[(E)-[[5-(5-bromanylthiophen-2-yl)-1H-pyrazol-3-yl]carbonylhydrazinylidene]methyl]benzoate

Systemtic Name: methyl 4-[(E)-[[5-(5-bromanylthiophen-2-yl)-1H-pyrazol-3-yl]carbonylhydrazinylidene]methyl]benzoate Openeye Name: methyl 4-[(E)-[[5-(5-bromo-2-thienyl)-1H-pyrazole-3-carbonyl]hydrazono]methyl]benzoate CAS Name: 4-[(E)-[[[5-(5-bromo-2-thiophenyl)-1H-pyrazol-3-yl]-oxomethyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[[5-(5-bromothiophen-2-yl)-1H-pyrazole-3-carbonyl]hydrazinylidene]methyl]benzoate Traditional Name: 4-[(E)-[[5-(5-bromo-2-thienyl)-1H-pyrazole-3-carbonyl]hydrazono]methyl]benzoic acid methyl ester Formula: C17H13BrN4O3S MolecularWeight: 433.27912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NNC(=O)C2=NNC(=C2)C3=CC=C(S3)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)Br

InChI

InChI=1S/C17H13BrN4O3S/c1-25-17(24)11-4-2-10(3-5-11)9-19-22-16(23)13-8-12(20-21-13)14-6-7-15(18)26-14/h2-9H,1H3,(H,20,21)(H,22,23)/b19-9+