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

Systemtic Name: 2-[[4,5-bis(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[4,5-bis(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)thio]acetate Formula: C18H16N3O2S- MolecularWeight: 338.40354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2CC3=CC=CC=C3)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2CC3=CC=CC=C3)SCC(=O)[O-]

InChI

InChI=1S/C18H17N3O2S/c22-17(23)13-24-18-20-19-16(11-14-7-3-1-4-8-14)21(18)12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,22,23)/p-1