3-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: 3-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]propionate Formula: C14H16N3O3S- MolecularWeight: 306.36014

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC(=O)[O-])COC2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCCC(=O)[O-])COC2=CC=CC=C2

InChI

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