2-[(1-isoquinolin-5-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(1-isoquinolin-5-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoic acid Openeye Name: 2-[1-(5-isoquinolyl)tetrazol-5-yl]sulfanylacetic acid CAS Name: 2-[[1-(5-isoquinolinyl)-5-tetrazolyl]thio]acetic acid IUPAC Name: 2-(1-isoquinolin-5-yltetrazol-5-yl)sulfanylacetic acid Traditional Name: 2-[[1-(5-isoquinolyl)tetrazol-5-yl]thio]acetic acid Formula: C12H9N5O2S MolecularWeight: 287.29716

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)N3C(=NN=N3)SCC(=O)O

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)N3C(=NN=N3)SCC(=O)O

InChI

InChI=1S/C12H9N5O2S/c18-11(19)7-20-12-14-15-16-17(12)10-3-1-2-8-6-13-5-4-9(8)10/h1-6H,7H2,(H,18,19)