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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=NN=C(N2C)SCCC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=NN=C(N2C)SCCC(=O)O

InChI

InChI=1S/C15H19N3O3S/c1-3-11-4-6-12(7-5-11)21-10-13-16-17-15(18(13)2)22-9-8-14(19)20/h4-7H,3,8-10H2,1-2H3,(H,19,20)