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

Systemtic Name: 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butanoic acid Openeye Name: 3-(1-methyltetrazol-5-yl)sulfanylbutanoic acid CAS Name: 3-[(1-methyl-5-tetrazolyl)thio]butanoic acid IUPAC Name: 3-(1-methyltetrazol-5-yl)sulfanylbutanoic acid Traditional Name: 3-[(1-methyltetrazol-5-yl)thio]butyric acid Formula: C6H10N4O2S MolecularWeight: 202.2342

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)SC1=NN=NN1C

Isomeric SMILES

CC(CC(=O)O)SC1=NN=NN1C

InChI

InChI=1S/C6H10N4O2S/c1-4(3-5(11)12)13-6-7-8-9-10(6)2/h4H,3H2,1-2H3,(H,11,12)