N-(3-ethylpent-1-yn-3-yl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-2-[2-(2-furyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-2-[[2-(2-furanyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-2-[[2-(2-furyl)quinazolin-4-yl]thio]acetamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)CSC1=NC(=NC2=CC=CC=C21)C3=CC=CO3

Isomeric SMILES

CCC(CC)(C#C)NC(=O)CSC1=NC(=NC2=CC=CC=C21)C3=CC=CO3

InChI

InChI=1S/C21H21N3O2S/c1-4-21(5-2,6-3)24-18(25)14-27-20-15-10-7-8-11-16(15)22-19(23-20)17-12-9-13-26-17/h1,7-13H,5-6,14H2,2-3H3,(H,24,25)