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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

COCCN1C(=NN=C1SCCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C14H17N3O3S/c1-20-9-8-17-13(11-5-3-2-4-6-11)15-16-14(17)21-10-7-12(18)19/h2-6H,7-10H2,1H3,(H,18,19)