[4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [4-(tetrazol-1-yl)phenyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C16H9FN4O2S MolecularWeight: 340.331663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(SC2=C1)C(=O)OC3=CC=C(C=C3)N4C=NN=N4)F

Isomeric SMILES

C1=CC(=C2C=C(SC2=C1)C(=O)OC3=CC=C(C=C3)N4C=NN=N4)F

InChI

InChI=1S/C16H9FN4O2S/c17-13-2-1-3-14-12(13)8-15(24-14)16(22)23-11-6-4-10(5-7-11)21-9-18-19-20-21/h1-9H