(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-pyrazol-1-ylbenzoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-pyrazol-1-ylbenzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic 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 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H12N4O3S MolecularWeight: 352.36718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C17H12N4O3S/c22-17(12-2-4-14(5-3-12)21-8-1-7-18-21)23-10-15-19-16(20-24-15)13-6-9-25-11-13/h1-9,11H,10H2