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

Systemtic Name: 2-[[5-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 2-[[5-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 2-[[5-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 2-[[5-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 2-[[5-(4-ethoxybenzyl)-4-methyl-1,2,4-triazol-3-yl]thio]propionic acid Formula: C15H19N3O3S MolecularWeight: 321.39466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC2=NN=C(N2C)SC(C)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=NN=C(N2C)SC(C)C(=O)O

InChI

InChI=1S/C15H19N3O3S/c1-4-21-12-7-5-11(6-8-12)9-13-16-17-15(18(13)3)22-10(2)14(19)20/h5-8,10H,4,9H2,1-3H3,(H,19,20)