2-[[4-(2-methoxyethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-(2-methoxyethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-benzyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-methoxyethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-benzyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-benzyl-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C14H16N3O3S- MolecularWeight: 306.36014

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

COCCN1C(=NN=C1SCC(=O)[O-])CC2=CC=CC=C2

InChI

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