4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanoate

Systemtic Name: 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanoate Openeye Name: 4-(1-methyltetrazol-5-yl)sulfanylbutanoate CAS Name: 4-[(1-methyl-5-tetrazolyl)thio]butanoate IUPAC Name: 4-(1-methyltetrazol-5-yl)sulfanylbutanoate Traditional Name: 4-[(1-methyltetrazol-5-yl)thio]butyrate Formula: C6H9N4O2S- MolecularWeight: 201.22626

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCC(=O)[O-]

Isomeric SMILES

CN1C(=NN=N1)SCCCC(=O)[O-]

InChI

InChI=1S/C6H10N4O2S/c1-10-6(7-8-9-10)13-4-2-3-5(11)12/h2-4H2,1H3,(H,11,12)/p-1