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

Systemtic Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(1-benzimidazolylmethyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C20H19N5O2S MolecularWeight: 393.46216

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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)