(4-bromanyl-2-fluoranyl-phenyl)methyl 2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 2-(5-thiophen-3-yl-1,2,3,4-tetrazol-2-yl)ethanoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 2-[5-(3-thienyl)tetrazol-2-yl]acetate CAS Name: 2-[5-(3-thiophenyl)-2-tetrazolyl]acetic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate Traditional Name: 2-[5-(3-thienyl)tetrazol-2-yl]acetic acid (4-bromo-2-fluoro-benzyl) ester Formula: C14H10BrFN4O2S MolecularWeight: 397.222203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)COC(=O)CN2N=C(N=N2)C3=CSC=C3

Isomeric SMILES

C1=CC(=C(C=C1Br)F)COC(=O)CN2N=C(N=N2)C3=CSC=C3

InChI

InChI=1S/C14H10BrFN4O2S/c15-11-2-1-9(12(16)5-11)7-22-13(21)6-20-18-14(17-19-20)10-3-4-23-8-10/h1-5,8H,6-7H2