2-[(1-propyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(1-propyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(1-propyltetrazol-5-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(1-propyl-5-tetrazolyl)methylthio]benzoic acid IUPAC Name: 2-[(1-propyltetrazol-5-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(1-propyltetrazol-5-yl)methylthio]benzoic acid Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCN1C(=NN=N1)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C12H14N4O2S/c1-2-7-16-11(13-14-15-16)8-19-10-6-4-3-5-9(10)12(17)18/h3-6H,2,7-8H2,1H3,(H,17,18)