N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridin-2-ylsulfanyl-propanamide

Systemtic Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridin-2-ylsulfanyl-propanamide Openeye Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(2-pyridylsulfanyl)propanamide CAS Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-pyridinylthio)propanamide IUPAC Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridin-2-ylsulfanylpropanamide Traditional Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(2-pyridylthio)propionamide Formula: C21H25N3OS2 MolecularWeight: 399.5727

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CCSC3=CC=CC=N3

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CCSC3=CC=CC=N3

InChI

InChI=1S/C21H25N3OS2/c1-21(2,3)14-7-8-15-16(13-22)20(27-17(15)12-14)24-18(25)9-11-26-19-6-4-5-10-23-19/h4-6,10,14H,7-9,11-12H2,1-3H3,(H,24,25)