2-[[5-(benzimidazol-1-ylmethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(1-benzimidazolylmethyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetate Formula: C20H18N5O2S- MolecularWeight: 392.45422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)[O-])CN3C=NC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)[O-])CN3C=NC4=CC=CC=C43

InChI

InChI=1S/C20H19N5O2S/c26-19(27)13-28-20-23-22-18(25(20)11-10-15-6-2-1-3-7-15)12-24-14-21-16-8-4-5-9-17(16)24/h1-9,14H,10-13H2,(H,26,27)/p-1