N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)sulfanyl-ethanamide

Systemtic Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)sulfanyl-ethanamide Openeye Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-fluorophenyl)sulfanyl-acetamide CAS Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-fluorophenyl)thio]acetamide IUPAC Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-fluorophenyl)sulfanylacetamide Traditional Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(4-fluorophenyl)thio]acetamide Formula: C21H23FN2OS2 MolecularWeight: 402.548523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2OS2/c1-21(2,3)13-4-9-16-17(11-23)20(27-18(16)10-13)24-19(25)12-26-15-7-5-14(22)6-8-15/h5-8,13H,4,9-10,12H2,1-3H3,(H,24,25)