2-[[4-(2-phenoxyethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[4-(2-phenoxyethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-(2-phenoxyethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-phenoxyethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl]thio]acetate IUPAC Name: 2-[[4-(2-phenoxyethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-phenoxyethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl]thio]acetate Formula: C18H15N4O3S- MolecularWeight: 367.4017

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCN2C3=CC=CC=C3N4C2=NN=C4SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCCN2C3=CC=CC=C3N4C2=NN=C4SCC(=O)[O-]

InChI

InChI=1S/C18H16N4O3S/c23-16(24)12-26-18-20-19-17-21(10-11-25-13-6-2-1-3-7-13)14-8-4-5-9-15(14)22(17)18/h1-9H,10-12H2,(H,23,24)/p-1