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

Systemtic Name: 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanoic acid Openeye Name: 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanoic acid CAS Name: 5-[(4-methyl-1,2,4-triazol-3-yl)thio]pentanoic acid IUPAC Name: 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentanoic acid Traditional Name: 5-[(4-methyl-1,2,4-triazol-3-yl)thio]valeric acid Formula: C8H13N3O2S MolecularWeight: 215.27272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCCCCC(=O)O

Isomeric SMILES

CN1C=NN=C1SCCCCC(=O)O

InChI

InChI=1S/C8H13N3O2S/c1-11-6-9-10-8(11)14-5-3-2-4-7(12)13/h6H,2-5H2,1H3,(H,12,13)