2-[(1-pentan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(1-pentan-2-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoic acid Openeye Name: 2-[1-(1-methylbutyl)tetrazol-5-yl]sulfanylacetic acid CAS Name: 2-[(1-pentan-2-yl-5-tetrazolyl)thio]acetic acid IUPAC Name: 2-(1-pentan-2-yltetrazol-5-yl)sulfanylacetic acid Traditional Name: 2-[[1-(1-methylbutyl)tetrazol-5-yl]thio]acetic acid Formula: C8H14N4O2S MolecularWeight: 230.28736

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C(=NN=N1)SCC(=O)O

Isomeric SMILES

CCCC(C)N1C(=NN=N1)SCC(=O)O

InChI

InChI=1S/C8H14N4O2S/c1-3-4-6(2)12-8(9-10-11-12)15-5-7(13)14/h6H,3-5H2,1-2H3,(H,13,14)