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

Systemtic Name: 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]pentanoic acid Openeye Name: 4-(1-methyltetrazol-5-yl)sulfanylpentanoic acid CAS Name: 4-[(1-methyl-5-tetrazolyl)thio]pentanoic acid IUPAC Name: 4-(1-methyltetrazol-5-yl)sulfanylpentanoic acid Traditional Name: 4-[(1-methyltetrazol-5-yl)thio]valeric acid Formula: C7H12N4O2S MolecularWeight: 216.26078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H12N4O2S/c1-5(3-4-6(12)13)14-7-8-9-10-11(7)2/h5H,3-4H2,1-2H3,(H,12,13)