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

Systemtic Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(1-benzimidazolylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(benzimidazol-1-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C18H15N5O2S MolecularWeight: 365.409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)CN3C=NC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)CN3C=NC4=CC=CC=C43

InChI

InChI=1S/C18H15N5O2S/c24-17(25)11-26-18-21-20-16(23(18)13-6-2-1-3-7-13)10-22-12-19-14-8-4-5-9-15(14)22/h1-9,12H,10-11H2,(H,24,25)