[4-(1,2,3,4-tetrazol-1-yl)phenyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [4-(tetrazol-1-yl)phenyl] 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C16H8ClFN4O2S MolecularWeight: 374.776723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=NN=N2)OC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C=NN=N2)OC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C16H8ClFN4O2S/c17-14-12-6-1-9(18)7-13(12)25-15(14)16(23)24-11-4-2-10(3-5-11)22-8-19-20-21-22/h1-8H