1-[3-(2-phenylsulfanylethoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide

Systemtic Name: 1-[3-(2-phenylsulfanylethoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide Openeye Name: 1-[3-(2-phenylsulfanylethoxy)phenyl]-N-(3-pyridylmethyl)benzimidazole-5-carboxamide CAS Name: 1-[3-[2-(phenylthio)ethoxy]phenyl]-N-(3-pyridinylmethyl)-5-benzimidazolecarboxamide IUPAC Name: 1-[3-(2-phenylsulfanylethoxy)phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide Traditional Name: 1-[3-[2-(phenylthio)ethoxy]phenyl]-N-(3-pyridylmethyl)benzimidazole-5-carboxamide Formula: C28H24N4O2S MolecularWeight: 480.58076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCOC2=CC=CC(=C2)N3C=NC4=C3C=CC(=C4)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)SCCOC2=CC=CC(=C2)N3C=NC4=C3C=CC(=C4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C28H24N4O2S/c33-28(30-19-21-6-5-13-29-18-21)22-11-12-27-26(16-22)31-20-32(27)23-7-4-8-24(17-23)34-14-15-35-25-9-2-1-3-10-25/h1-13,16-18,20H,14-15,19H2,(H,30,33)