2-pentyl-5-[4-(2,5,5-trimethyl-3-oxidanylidene-hexan-2-yl)sulfanylphenyl]-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 2-pentyl-5-[4-(2,5,5-trimethyl-3-oxidanylidene-hexan-2-yl)sulfanylphenyl]-1,2,4-triazole-3-carboxylic acid Openeye Name: 2-pentyl-5-[4-(1,1,4,4-tetramethyl-2-oxo-pentyl)sulfanylphenyl]-1,2,4-triazole-3-carboxylic acid CAS Name: 2-pentyl-5-[4-[(2,5,5-trimethyl-3-oxohexan-2-yl)thio]phenyl]-1,2,4-triazole-3-carboxylic acid IUPAC Name: 2-pentyl-5-[4-(2,5,5-trimethyl-3-oxohexan-2-yl)sulfanylphenyl]-1,2,4-triazole-3-carboxylic acid Traditional Name: 2-amyl-5-[4-[(2-keto-1,1,4,4-tetramethyl-pentyl)thio]phenyl]-1,2,4-triazole-3-carboxylic acid Formula: C23H33N3O3S MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC(=N1)C2=CC=C(C=C2)SC(C)(C)C(=O)CC(C)(C)C)C(=O)O

Isomeric SMILES

CCCCCN1C(=NC(=N1)C2=CC=C(C=C2)SC(C)(C)C(=O)CC(C)(C)C)C(=O)O

InChI

InChI=1S/C23H33N3O3S/c1-7-8-9-14-26-20(21(28)29)24-19(25-26)16-10-12-17(13-11-16)30-23(5,6)18(27)15-22(2,3)4/h10-13H,7-9,14-15H2,1-6H3,(H,28,29)