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

Systemtic Name: 2-[[5-(4-ethoxyphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-benzyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-ethoxyphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-benzyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[(4-benzyl-5-p-phenetyl-1,2,4-triazol-3-yl)thio]acetate Formula: C19H18N3O3S- MolecularWeight: 368.42952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCC(=O)[O-]

InChI

InChI=1S/C19H19N3O3S/c1-2-25-16-10-8-15(9-11-16)18-20-21-19(26-13-17(23)24)22(18)12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,23,24)/p-1