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

Systemtic Name: 3-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 3-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]benzoic acid CAS Name: 3-[2-[(1-methyl-5-tetrazolyl)thio]ethoxy]benzoic acid IUPAC Name: 3-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]benzoic acid Traditional Name: 3-[2-[(1-methyltetrazol-5-yl)thio]ethoxy]benzoic acid Formula: C11H12N4O3S MolecularWeight: 280.30298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCOC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCCOC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C11H12N4O3S/c1-15-11(12-13-14-15)19-6-5-18-9-4-2-3-8(7-9)10(16)17/h2-4,7H,5-6H2,1H3,(H,16,17)