1-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]isoquinoline-3-carboxylic acid Openeye Name: 1-(1-methyltetrazol-5-yl)sulfanylisoquinoline-3-carboxylic acid CAS Name: 1-[(1-methyl-5-tetrazolyl)thio]-3-isoquinolinecarboxylic acid IUPAC Name: 1-(1-methyltetrazol-5-yl)sulfanylisoquinoline-3-carboxylic acid Traditional Name: 1-[(1-methyltetrazol-5-yl)thio]isoquinoline-3-carboxylic acid Formula: C12H9N5O2S MolecularWeight: 287.29716

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SC2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C12H9N5O2S/c1-17-12(14-15-16-17)20-10-8-5-3-2-4-7(8)6-9(13-10)11(18)19/h2-6H,1H3,(H,18,19)