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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SC2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

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