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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(6-fluoranyl-2-phenyl-quinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(6-fluoro-2-phenyl-quinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(6-fluoro-2-phenyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(6-fluoro-2-phenylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(6-fluoro-2-phenyl-quinazolin-4-yl)thio]acetamide Formula: C25H19FN4OS2 MolecularWeight: 474.572963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC(=NC4=C3C=C(C=C4)F)C5=CC=CC=C5)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC(=NC4=C3C=C(C=C4)F)C5=CC=CC=C5)C#N

InChI

InChI=1S/C25H19FN4OS2/c26-16-10-11-20-18(12-16)24(30-23(28-20)15-6-2-1-3-7-15)32-14-22(31)29-25-19(13-27)17-8-4-5-9-21(17)33-25/h1-3,6-7,10-12H,4-5,8-9,14H2,(H,29,31)