N-(2-cyanoethyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-fluorophenyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-fluorophenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-N-(2-fluorophenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-fluorophenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-N-(2-fluorophenyl)acetamide Formula: C20H19FN4O2S MolecularWeight: 398.453863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)N(CCC#N)C3=CC=CC=C3F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)N(CCC#N)C3=CC=CC=C3F

InChI

InChI=1S/C20H19FN4O2S/c1-2-27-14-8-9-16-17(12-14)24-20(23-16)28-13-19(26)25(11-5-10-22)18-7-4-3-6-15(18)21/h3-4,6-9,12H,2,5,11,13H2,1H3,(H,23,24)