ethyl 1-(pyridin-2-ylmethyl)-2-(quinolin-8-ylmethylsulfanyl)benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-(pyridin-2-ylmethyl)-2-(quinolin-8-ylmethylsulfanyl)benzimidazole-5-carboxylate Openeye Name: ethyl 1-(2-pyridylmethyl)-2-(8-quinolylmethylsulfanyl)benzimidazole-5-carboxylate CAS Name: 1-(2-pyridinylmethyl)-2-(8-quinolinylmethylthio)-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(pyridin-2-ylmethyl)-2-(quinolin-8-ylmethylsulfanyl)benzimidazole-5-carboxylate Traditional Name: 1-(2-pyridylmethyl)-2-(8-quinolylmethylthio)benzimidazole-5-carboxylic acid ethyl ester Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=CC4=C3N=CC=C4)CC5=CC=CC=N5

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=CC4=C3N=CC=C4)CC5=CC=CC=N5

InChI

InChI=1S/C26H22N4O2S/c1-2-32-25(31)19-11-12-23-22(15-19)29-26(30(23)16-21-10-3-4-13-27-21)33-17-20-8-5-7-18-9-6-14-28-24(18)20/h3-15H,2,16-17H2,1H3