N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1-ethyl-5-phenyl-imidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1-ethyl-5-phenyl-imidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(1-ethyl-5-phenyl-imidazol-2-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(1-ethyl-5-phenyl-2-imidazolyl)thio]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylacetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(1-ethyl-5-phenyl-imidazol-2-yl)thio]acetamide Formula: C22H22N4OS2 MolecularWeight: 422.56628

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=CN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4OS2/c1-2-26-18(15-8-4-3-5-9-15)13-24-22(26)28-14-20(27)25-21-17(12-23)16-10-6-7-11-19(16)29-21/h3-5,8-9,13H,2,6-7,10-11,14H2,1H3,(H,25,27)