ethyl 2-[(4-cyanophenyl)methylsulfanyl]-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[(4-cyanophenyl)methylsulfanyl]-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[(4-cyanophenyl)methylsulfanyl]-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[(4-cyanophenyl)methylthio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-cyanophenyl)methylsulfanyl]-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[(4-cyanobenzyl)thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC3=CC=C(C=C3)C#N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H19N3O2S/c1-3-23-18-10-9-16(19(24)25-4-2)11-17(18)22-20(23)26-13-15-7-5-14(12-21)6-8-15/h5-11H,3-4,13H2,1-2H3