3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(1-methyl-5-tetrazolyl)thio]methyl]benzoic acid IUPAC Name: 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(1-methyltetrazol-5-yl)thio]methyl]benzoic acid Formula: C10H10N4O2S MolecularWeight: 250.277

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C10H10N4O2S/c1-14-10(11-12-13-14)17-6-7-3-2-4-8(5-7)9(15)16/h2-5H,6H2,1H3,(H,15,16)