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

Systemtic Name: ethyl 1-ethyl-2-[[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]benzimidazole-5-carboxylate Openeye Name: ethyl 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-ethyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[3-(phenylmethyl)-1,2,4-oxadiazol-5-yl]methylthio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylthio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC3=NC(=NO3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC3=NC(=NO3)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O3S/c1-3-26-18-11-10-16(21(27)28-4-2)13-17(18)23-22(26)30-14-20-24-19(25-29-20)12-15-8-6-5-7-9-15/h5-11,13H,3-4,12,14H2,1-2H3