2-[[5-ethyl-4-(2-ethyl-6-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-ethyl-4-(2-ethyl-6-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-ethyl-4-(2-ethyl-6-methyl-phenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-ethyl-4-(2-ethyl-6-methylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-ethyl-4-(2-ethyl-6-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-ethyl-4-(2-ethyl-6-methyl-phenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1N2C(=NN=C2SCC(=O)O)CC)C

Isomeric SMILES

CCC1=CC=CC(=C1N2C(=NN=C2SCC(=O)O)CC)C

InChI

InChI=1S/C15H19N3O2S/c1-4-11-8-6-7-10(3)14(11)18-12(5-2)16-17-15(18)21-9-13(19)20/h6-8H,4-5,9H2,1-3H3,(H,19,20)