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

Systemtic Name: 3-[[4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[(5-isobutyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid CAS Name: 3-[[4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[4-methyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[(5-isobutyl-4-methyl-1,2,4-triazol-3-yl)thio]propionic acid Formula: C10H17N3O2S MolecularWeight: 243.32588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN=C(N1C)SCCC(=O)O

Isomeric SMILES

CC(C)CC1=NN=C(N1C)SCCC(=O)O

InChI

InChI=1S/C10H17N3O2S/c1-7(2)6-8-11-12-10(13(8)3)16-5-4-9(14)15/h7H,4-6H2,1-3H3,(H,14,15)