2-[[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[(4-p-anisyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C=NN=C2SCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN2C=NN=C2SCC(=O)O

InChI

InChI=1S/C12H13N3O3S/c1-18-10-4-2-9(3-5-10)6-15-8-13-14-12(15)19-7-11(16)17/h2-5,8H,6-7H2,1H3,(H,16,17)