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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC(=NN2)SCCC(=O)O

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC(=NN2)SCCC(=O)O

InChI

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