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

Systemtic Name: 2-[(1-propyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(1-propyltetrazol-5-yl)methylsulfanyl]acetic acid CAS Name: 2-[(1-propyl-5-tetrazolyl)methylthio]acetic acid IUPAC Name: 2-[(1-propyltetrazol-5-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(1-propyltetrazol-5-yl)methylthio]acetic acid Formula: C7H12N4O2S MolecularWeight: 216.26078

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CSCC(=O)O

Isomeric SMILES

CCCN1C(=NN=N1)CSCC(=O)O

InChI

InChI=1S/C7H12N4O2S/c1-2-3-11-6(8-9-10-11)4-14-5-7(12)13/h2-5H2,1H3,(H,12,13)