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

Systemtic Name: 2-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoic acid Openeye Name: 2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]benzoic acid CAS Name: 2-[[(1-cyclopentyl-5-tetrazolyl)thio]methyl]benzoic acid IUPAC Name: 2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]benzoic acid Traditional Name: 2-[[(1-cyclopentyltetrazol-5-yl)thio]methyl]benzoic acid Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=N2)SCC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CCC(C1)N2C(=NN=N2)SCC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C14H16N4O2S/c19-13(20)12-8-4-1-5-10(12)9-21-14-15-16-17-18(14)11-6-2-3-7-11/h1,4-5,8,11H,2-3,6-7,9H2,(H,19,20)