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

Systemtic Name: 3-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]propionic acid Formula: C14H17N3O3S MolecularWeight: 307.36808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NN=C(N2C)SCCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1OCC2=NN=C(N2C)SCCC(=O)O

InChI

InChI=1S/C14H17N3O3S/c1-10-5-3-4-6-11(10)20-9-12-15-16-14(17(12)2)21-8-7-13(18)19/h3-6H,7-9H2,1-2H3,(H,18,19)