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

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [4-(tetrazol-1-yl)phenyl] 4-fluoro-3-methyl-benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-methyl-1-benzothiophene-2-carboxylic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-methyl-benzothiophene-2-carboxylic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C17H11FN4O2S MolecularWeight: 354.358243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)OC3=CC=C(C=C3)N4C=NN=N4

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)OC3=CC=C(C=C3)N4C=NN=N4

InChI

InChI=1S/C17H11FN4O2S/c1-10-15-13(18)3-2-4-14(15)25-16(10)17(23)24-12-7-5-11(6-8-12)22-9-19-20-21-22/h2-9H,1H3