(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H11BrN4O3S MolecularWeight: 431.26324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NNC(=C2)C(=O)OCC3=NC(=NO3)C4=CSC=C4)Br

Isomeric SMILES

C1=CC(=CC=C1C2=NNC(=C2)C(=O)OCC3=NC(=NO3)C4=CSC=C4)Br

InChI

InChI=1S/C17H11BrN4O3S/c18-12-3-1-10(2-4-12)13-7-14(21-20-13)17(23)24-8-15-19-16(22-25-15)11-5-6-26-9-11/h1-7,9H,8H2,(H,20,21)