ethyl 1-ethyl-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propylsulfanyl]benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylthio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]benzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propylthio]benzimidazole-5-carboxylic acid ethyl ester Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCCCC3=NC(=NO3)C4=CC=NC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCCCC3=NC(=NO3)C4=CC=NC=C4

InChI

InChI=1S/C22H23N5O3S/c1-3-27-18-8-7-16(21(28)29-4-2)14-17(18)24-22(27)31-13-5-6-19-25-20(26-30-19)15-9-11-23-12-10-15/h7-12,14H,3-6,13H2,1-2H3