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

Systemtic Name: ethyl 2-(naphthalen-1-ylmethylsulfanyl)-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxylate Openeye Name: ethyl 2-(1-naphthylmethylsulfanyl)-1-(2-pyridylmethyl)benzimidazole-5-carboxylate CAS Name: 2-(1-naphthalenylmethylthio)-1-(2-pyridinylmethyl)-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(naphthalen-1-ylmethylsulfanyl)-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxylate Traditional Name: 2-(1-naphthylmethylthio)-1-(2-pyridylmethyl)benzimidazole-5-carboxylic acid ethyl ester Formula: C27H23N3O2S MolecularWeight: 453.55542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=CC4=CC=CC=C43)CC5=CC=CC=N5

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)SCC3=CC=CC4=CC=CC=C43)CC5=CC=CC=N5

InChI

InChI=1S/C27H23N3O2S/c1-2-32-26(31)20-13-14-25-24(16-20)29-27(30(25)17-22-11-5-6-15-28-22)33-18-21-10-7-9-19-8-3-4-12-23(19)21/h3-16H,2,17-18H2,1H3