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

Systemtic Name: 3-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Openeye Name: 3-[(5-isopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid CAS Name: 3-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]propanoic acid IUPAC Name: 3-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: 3-[(5-isopropyl-4-methyl-1,2,4-triazol-3-yl)thio]propionic acid Formula: C9H15N3O2S MolecularWeight: 229.2993

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C)SCCC(=O)O

Isomeric SMILES

CC(C)C1=NN=C(N1C)SCCC(=O)O

InChI

InChI=1S/C9H15N3O2S/c1-6(2)8-10-11-9(12(8)3)15-5-4-7(13)14/h6H,4-5H2,1-3H3,(H,13,14)