N-(2-cyanoethyl)-N-phenyl-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-phenyl-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-phenyl-2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetamide Formula: C23H18N4OS2 MolecularWeight: 430.54522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C23H18N4OS2/c24-13-7-14-27(17-8-2-1-3-9-17)21(28)16-30-23-18-10-4-5-11-19(18)25-22(26-23)20-12-6-15-29-20/h1-6,8-12,15H,7,14,16H2