4-fluoranyl-3-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: 4-fluoranyl-3-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Openeye Name: 4-fluoro-3-[(1-isopropyltetrazol-5-yl)sulfanylmethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[(1-propan-2-yl-5-tetrazolyl)thio]methyl]-1-benzothiophene-2-carboxylate IUPAC Name: 4-fluoro-3-[(1-propan-2-yltetrazol-5-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[(1-isopropyltetrazol-5-yl)thio]methyl]benzothiophene-2-carboxylate Formula: C14H12FN4O2S2- MolecularWeight: 351.399083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)SCC2=C(SC3=CC=CC(=C32)F)C(=O)[O-]

Isomeric SMILES

CC(C)N1C(=NN=N1)SCC2=C(SC3=CC=CC(=C32)F)C(=O)[O-]

InChI

InChI=1S/C14H13FN4O2S2/c1-7(2)19-14(16-17-18-19)22-6-8-11-9(15)4-3-5-10(11)23-12(8)13(20)21/h3-5,7H,6H2,1-2H3,(H,20,21)/p-1